2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-3-nitrophenyl)acetamide
Chemical Structure Depiction of
2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-3-nitrophenyl)acetamide
2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-3-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | F019-0795 |
| Compound Name: | 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-3-nitrophenyl)acetamide |
| Molecular Weight: | 445.5 |
| Molecular Formula: | C23 H19 N5 O3 S |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)NC(CSc1nnc(c2ccccc2)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9687 |
| logD: | 4.9679 |
| logSw: | -4.6657 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.942 |
| InChI Key: | PIBJWLPNVCFKPH-UHFFFAOYSA-N |