2-{[4-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-nitrophenyl)acetamide
Chemical Structure Depiction of
2-{[4-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-nitrophenyl)acetamide
2-{[4-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | Y205-8899 |
| Compound Name: | 2-{[4-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-nitrophenyl)acetamide |
| Molecular Weight: | 335.38 |
| Molecular Formula: | C14 H17 N5 O3 S |
| Smiles: | CC(C)c1nnc(n1C)SCC(Nc1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1216 |
| logD: | 2.1093 |
| logSw: | -2.7245 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.854 |
| InChI Key: | CCNVGOUEAPUAHV-UHFFFAOYSA-N |