N-(5-chloro-2-methoxyphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(5-chloro-2-methoxyphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y205-9410 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 415.9 |
| Molecular Formula: | C19 H18 Cl N5 O2 S |
| Smiles: | COc1ccc(cc1NC(CSc1nnc(c2ccccn2)n1CC=C)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.0492 |
| logD: | 3.0455 |
| logSw: | -3.4426 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.349 |
| InChI Key: | LIAPOIBDTNMUBP-UHFFFAOYSA-N |