2-{[5-(4-acetamidophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylpyridin-2-yl)acetamide
Chemical Structure Depiction of
2-{[5-(4-acetamidophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylpyridin-2-yl)acetamide
2-{[5-(4-acetamidophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylpyridin-2-yl)acetamide
Compound characteristics
| Compound ID: | D481-2698 |
| Compound Name: | 2-{[5-(4-acetamidophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylpyridin-2-yl)acetamide |
| Molecular Weight: | 458.54 |
| Molecular Formula: | C24 H22 N6 O2 S |
| Smiles: | CC(Nc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(Nc1cc(C)ccn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3938 |
| logD: | 3.3937 |
| logSw: | -3.8089 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.739 |
| InChI Key: | URURSVKXWYFHEX-UHFFFAOYSA-N |