2-{[5-(4-acetamidophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(4-acetamidophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dimethylphenyl)acetamide
2-{[5-(4-acetamidophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | D481-2687 |
| Compound Name: | 2-{[5-(4-acetamidophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dimethylphenyl)acetamide |
| Molecular Weight: | 471.58 |
| Molecular Formula: | C26 H25 N5 O2 S |
| Smiles: | CC(Nc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(Nc1cccc(C)c1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4977 |
| logD: | 4.4977 |
| logSw: | -4.2574 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.426 |
| InChI Key: | JEZSBDMACQVIQJ-UHFFFAOYSA-N |