2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylpyridin-2-yl)acetamide
Chemical Structure Depiction of
2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylpyridin-2-yl)acetamide
2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylpyridin-2-yl)acetamide
Compound characteristics
| Compound ID: | D419-0127 |
| Compound Name: | 2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylpyridin-2-yl)acetamide |
| Molecular Weight: | 431.52 |
| Molecular Formula: | C23 H21 N5 O2 S |
| Smiles: | Cc1ccnc(c1)NC(CSc1nnc(c2ccc(cc2)OC)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.175 |
| logD: | 4.1749 |
| logSw: | -4.2773 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.021 |
| InChI Key: | UPPMQNGXOURQBU-UHFFFAOYSA-N |