N-(naphthalen-2-yl)-4-{2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzamide
Chemical Structure Depiction of
N-(naphthalen-2-yl)-4-{2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzamide
N-(naphthalen-2-yl)-4-{2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzamide
Compound characteristics
Compound ID: | D513-0313 |
Compound Name: | N-(naphthalen-2-yl)-4-{2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzamide |
Molecular Weight: | 403.46 |
Molecular Formula: | C21 H17 N5 O2 S |
Smiles: | C(C(Nc1ccc(cc1)C(Nc1ccc2ccccc2c1)=O)=O)Sc1nnc[nH]1 |
Stereo: | ACHIRAL |
logP: | 2.7859 |
logD: | 2.4314 |
logSw: | -3.4466 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 80.361 |
InChI Key: | DGIDRVZKZNZWPE-UHFFFAOYSA-N |