N-(5-chloro-2-methylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(5-chloro-2-methylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y206-0491 |
| Compound Name: | N-(5-chloro-2-methylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 399.9 |
| Molecular Formula: | C19 H18 Cl N5 O S |
| Smiles: | Cc1ccc(cc1NC(CSc1nnc(c2ccncc2)n1CC=C)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.2493 |
| logD: | 3.2477 |
| logSw: | -3.6407 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.099 |
| InChI Key: | OJCNMEMZVIIVII-UHFFFAOYSA-N |