N-(2,4-difluorophenyl)-4-{2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzamide
Chemical Structure Depiction of
N-(2,4-difluorophenyl)-4-{2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzamide
N-(2,4-difluorophenyl)-4-{2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzamide
Compound characteristics
Compound ID: | D513-0348 |
Compound Name: | N-(2,4-difluorophenyl)-4-{2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzamide |
Molecular Weight: | 389.38 |
Molecular Formula: | C17 H13 F2 N5 O2 S |
Smiles: | C(C(Nc1ccc(cc1)C(Nc1ccc(cc1F)F)=O)=O)Sc1nnc[nH]1 |
Stereo: | ACHIRAL |
logP: | 1.6843 |
logD: | 1.3298 |
logSw: | -2.5165 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 79.935 |
InChI Key: | AGAUYHVRGXNFTR-UHFFFAOYSA-N |