2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-nitrophenyl)acetamide
Chemical Structure Depiction of
2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-nitrophenyl)acetamide
2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | 8006-4572 |
| Compound Name: | 2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-nitrophenyl)acetamide |
| Molecular Weight: | 293.3 |
| Molecular Formula: | C11 H11 N5 O3 S |
| Smiles: | Cc1nnc([nH]1)SCC(Nc1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.836 |
| logD: | 0.4168 |
| logSw: | -2.3239 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.89 |
| InChI Key: | BZQANPDIKYKVBE-UHFFFAOYSA-N |