N-(3-chloro-4-methylphenyl)-4-{2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-4-{2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzamide
N-(3-chloro-4-methylphenyl)-4-{2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzamide
Compound characteristics
| Compound ID: | D513-0308 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-4-{2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzamide |
| Molecular Weight: | 401.87 |
| Molecular Formula: | C18 H16 Cl N5 O2 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(c1ccc(cc1)NC(CSc1nnc[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9604 |
| logD: | 2.6059 |
| logSw: | -3.6151 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.633 |
| InChI Key: | XUYUNLKJPULSTG-UHFFFAOYSA-N |