N-(2-chlorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2-chlorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2-chlorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8013-0344 |
| Compound Name: | N-(2-chlorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 385.87 |
| Molecular Formula: | C18 H16 Cl N5 O S |
| Smiles: | C=CCn1c(c2cccnc2)nnc1SCC(Nc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.6114 |
| logD: | 2.5988 |
| logSw: | -3.2962 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.188 |
| InChI Key: | JJXVOWXHQVWJKH-UHFFFAOYSA-N |