1-phenyl-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-phenyl-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-phenyl-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | G786-1498 |
| Compound Name: | 1-phenyl-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 336.41 |
| Molecular Formula: | C18 H16 N4 O S |
| Smiles: | C=CCn1c(c2ccncc2)nnc1SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8143 |
| logD: | 2.8129 |
| logSw: | -2.9542 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.894 |
| InChI Key: | CVHXNJZLGRNKAJ-UHFFFAOYSA-N |