2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide
Chemical Structure Depiction of
2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide
2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | 3698-0257 |
| Compound Name: | 2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide |
| Molecular Weight: | 293.3 |
| Molecular Formula: | C11 H11 N5 O3 S |
| Smiles: | Cn1cnnc1SCC(Nc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1214 |
| logD: | 1.1199 |
| logSw: | -2.4566 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.263 |
| InChI Key: | BVYNLTLYSPRAKS-UHFFFAOYSA-N |