1-([1,1'-biphenyl]-4-yl)-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-([1,1'-biphenyl]-4-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-([1,1'-biphenyl]-4-yl)-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: | G786-1522 |
| Compound Name: | 1-([1,1'-biphenyl]-4-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C24 H20 N4 O S |
| Smiles: | C=CCn1c(c2ccncc2)nnc1SCC(c1ccc(cc1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6381 |
| logD: | 4.6367 |
| logSw: | -4.7782 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.623 |
| InChI Key: | YPFPBIPTSUIHDV-UHFFFAOYSA-N |