1-(4-methoxyphenyl)-2-{[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(4-methoxyphenyl)-2-{[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(4-methoxyphenyl)-2-{[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | V016-8234 |
| Compound Name: | 1-(4-methoxyphenyl)-2-{[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 416.5 |
| Molecular Formula: | C23 H20 N4 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1n1c(c2ccncc2)nnc1SCC(c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0071 |
| logD: | 4.0071 |
| logSw: | -4.1352 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.631 |
| InChI Key: | PRNYWLFJPKNOJI-UHFFFAOYSA-N |