UCSF

ZINC20405326

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 29 Yes

Popular Name: (E)-2-(1,3-benzodioxol-5-yl)-N-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-1-ethenesulfonamide (E)-2-(1,3-benzodioxol-5-yl)-N-(…

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CAS Number: 339105-35-0

Other Names:

MFCD01443814

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) 3.46 4.33 -15.78 2 7 0 90 449.838 8 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 147 - 149 KeyOrganics

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