N-phenyl-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-phenyl-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-phenyl-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K822-0245 |
| Compound Name: | N-phenyl-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 351.43 |
| Molecular Formula: | C18 H17 N5 O S |
| Smiles: | C=CCn1c(c2cccnc2)nnc1SCC(Nc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3689 |
| logD: | 2.3564 |
| logSw: | -2.394 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.886 |
| InChI Key: | FOZKIEUDWMGSCD-UHFFFAOYSA-N |