2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide
Chemical Structure Depiction of
2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide
2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | Y512-4093 |
| Compound Name: | 2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide |
| Molecular Weight: | 307.33 |
| Molecular Formula: | C12 H13 N5 O3 S |
| Smiles: | CCc1nnc([nH]1)SCC(Nc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.527 |
| logD: | 1.198 |
| logSw: | -2.508 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.27 |
| InChI Key: | JCTYYPJWZOVBME-UHFFFAOYSA-N |