2-[(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide
Chemical Structure Depiction of
2-[(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide
2-[(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | Y205-6333 |
| Compound Name: | 2-[(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide |
| Molecular Weight: | 321.36 |
| Molecular Formula: | C13 H15 N5 O3 S |
| Smiles: | CCc1nnc(n1C)SCC(Nc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7343 |
| logD: | 1.7328 |
| logSw: | -2.5213 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.829 |
| InChI Key: | XFQQSYZJWBMUKW-UHFFFAOYSA-N |