(2R,3S)-2-N-(4-Phenoxyphenyl)oxirane-2,3-dicarboxamide

CovInDB Inhibitor

CI001731

Name

(2R,3S)-2-N-(4-Phenoxyphenyl)oxirane-2,3-dicarboxamide

Molecular Formula

C₁₆H₁₄N₂O₄

Molecular Weight

298.29 g/mol

Structure

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SDF 2D SDF 3D

IUPAC Name

(2R,3S)-N2-(4-phenoxyphenyl)oxirane-2,3-dicarboxamide

InChI

InChI=1S/C16H14N2O4/c17-15(19)13-14(22-13)16(20)18-10-6-8-12(9-7-10)21-11-4-2-1-3-5-11/h1-9,13-14H,(H2,17,19)(H,18,20)/t13-,14+/m0/s1

InChI Key

VYZAWJGFABJTFI-UONOGXRCSA-N

Canonical SMILES

NC(=O)[C@H]1O[C@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

298.29 g/mol

Computed by RDKit

logP

1.98

Computed by ALOGPS

logS

-3.65

Computed by ALOGPS

Heavy Atom Count

22

Computed by RDKit

Ring Count

3

Computed by RDKit

Hydrogen Bond Acceptor Count

4

Computed by RDKit

Hydrogen Bond Donor Count

2

Computed by RDKit

Rotatable Bond Count

5

Computed by RDKit

Topological Polar Surface Area

93.95 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.