2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-nitrophenyl)acetamide
Chemical Structure Depiction of
2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-nitrophenyl)acetamide
2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | 8014-5971 |
| Compound Name: | 2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-nitrophenyl)acetamide |
| Molecular Weight: | 445.5 |
| Molecular Formula: | C23 H19 N5 O3 S |
| Smiles: | Cc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(Nc1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8358 |
| logD: | 4.8258 |
| logSw: | -4.6018 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.245 |
| InChI Key: | IVZNBAYWOVBYOV-UHFFFAOYSA-N |