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• Synonyms (0)
• Vendors (1)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (8)

ZINC03537236

• 3537236

Physical Representations

Activity (Go SEA)

• 3563068
  

  Analogs

  3537236

  

  Popular Name: 6-[2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetyl]-4H-1,4-benzoxazin-3-one 6-[2-[(4-allyl-5-phenyl-1,2,4-tr…

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  Vendors

  • eMolecules

    • 3507534

  • Molport

    • MolPort-003-196-626

  • Enamine

    • Z15809489

  • Mcule

    • MCULE-5176749043

  • ChemDB

    • 7311618

  And 4 More

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	3.31	9.49	-16.3	1	7	0	86	406.467	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC03563068
• 13101147
  

  Analogs

  39747585

  

  39747699

  

  3537236

  

  Popular Name: 6-[2-[[5-(2,4-dichlorophenyl)-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one 6-[2-[[5-(2,4-dichlorophenyl)-4-…

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  Vendors

  • eMolecules

    • 11696229

  • Molport

    • MolPort-004-148-280

  • Enamine

    • Z17218394

  • Mcule

    • MCULE-4452644285

  • UORSY

    • PB17295862

  And 3 More

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	5.07	11.17	-15.05	1	7	0	86	491.4	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC13101147
• 23659370
  

  Analogs

  23659372

  

  3537236

  

  Popular Name: 6-[(2R)-2-[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-on 6-[(2R)-2-[[4-allyl-5-(4-chlorop…

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  Vendors

  • PubChem

    • 51640187
    • 24391002

  • AKOS (make-on-demand)

    • AKOS000914470

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	4.35	10.63	-14.13	1	7	0	86	454.939	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC23659370
• 23659372
  

  Analogs

  3537236

  

  23659370

  

  Popular Name: 6-[(2S)-2-[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-on 6-[(2S)-2-[[4-allyl-5-(4-chlorop…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 51640188
    • 24391002

  • AKOS (make-on-demand)

    • AKOS000914470

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	4.35	10.63	-14.37	1	7	0	86	454.939	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC23659372
• 36858883
  

  Analogs

  3537236

  

  Popular Name: 6-[(2S)-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-on 6-[(2S)-2-[[5-(4-chlorophenyl)-4…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 51883289
    • 45724743

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	4.08	10.18	-14.39	1	7	0	86	442.928	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36858883
• 36858884
  

  Analogs

  3537236

  

  Popular Name: 6-[(2R)-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-on 6-[(2R)-2-[[5-(4-chlorophenyl)-4…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 51883290
    • 45724743

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	4.08	10.18	-14.37	1	7	0	86	442.928	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36858884
• 3280407
  

  Analogs

  3537236

  

  4330490

  

  39747699

  

  39753307

  

  Popular Name: 6-[2-[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]acetyl]-4H-1,4-benzoxazin-3-one 6-[2-[[4-allyl-5-(4-chlorophenyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Mcule

    • MCULE-9727561678

  • UORSY

    • PB19945669

  • ChemDB

    • 5449334

  • PubChem

    • 2395849

  • Mcule Make-on-demand

    • MCULE-9727561678

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	3.99	-0.21	-14.1	0	1	0	86	440.912	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC03280407
• 3294085
  

  Analogs

  3507132

  

  3537236

  

  3555201

  

  Popular Name: 6-[2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetyl]-4H-1,4-benzoxazin-3-one 6-[2-[[5-(4-tert-butylphenyl)-4-…

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  Vendors

  • eMolecules

    • 3166750

  • Molport

    • MolPort-004-030-076

  • Enamine

    • Z19914013

  • Mcule

    • MCULE-7254292543

  • ChemDB

    • 5460705

  And 4 More

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	4.75	0.63	-14.93	1	7	0	86	450.564	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC03294085