2-({5-[3-(dimethylamino)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-({5-[3-(dimethylamino)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methylphenyl)acetamide
2-({5-[3-(dimethylamino)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | D489-0780 |
| Compound Name: | 2-({5-[3-(dimethylamino)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 443.57 |
| Molecular Formula: | C25 H25 N5 O S |
| Smiles: | Cc1cccc(c1)NC(CSc1nnc(c2cccc(c2)N(C)C)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3418 |
| logD: | 5.341 |
| logSw: | -5.2964 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.667 |
| InChI Key: | AOQWDBLDMNQRDQ-UHFFFAOYSA-N |