UCSF

ZINC01386577

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 29 Yes

Popular Name: 4-(tert-butyl)-N-(5-ethoxy-6-methoxy-3-oxo-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide 4-(tert-butyl)-N-(5-ethoxy-6-met…

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CAS Number: 865659-16-1

Other Names:

MFCD03848495

Download: MOL2 SDF SMILES Flexibase

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) 3.90 -2.79 -13.32 1 6 0 81 417.527 7 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 171 - 172 KeyOrganics

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.