2-[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)acetamide
Chemical Structure Depiction of
2-[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)acetamide
2-[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | 8015-7056 |
| Compound Name: | 2-[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)acetamide |
| Molecular Weight: | 308.32 |
| Molecular Formula: | C11 H12 N6 O3 S |
| Smiles: | Cc1nnc(n1N)SCC(Nc1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5858 |
| logD: | 0.5851 |
| logSw: | -2.4455 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.719 |
| InChI Key: | SFBXGSDSHGNRAV-UHFFFAOYSA-N |