2-{[4-methyl-5-(5-methylthiophen-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-nitrophenyl)acetamide
Chemical Structure Depiction of
2-{[4-methyl-5-(5-methylthiophen-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-nitrophenyl)acetamide
2-{[4-methyl-5-(5-methylthiophen-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | Y205-4338 |
| Compound Name: | 2-{[4-methyl-5-(5-methylthiophen-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-nitrophenyl)acetamide |
| Molecular Weight: | 389.45 |
| Molecular Formula: | C16 H15 N5 O3 S2 |
| Smiles: | Cc1cc(cs1)c1nnc(n1C)SCC(Nc1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0085 |
| logD: | 2.9963 |
| logSw: | -3.5536 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.601 |
| InChI Key: | IIRFFKKIZPCGNN-UHFFFAOYSA-N |