2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
Chemical Structure Depiction of
2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
Compound characteristics
| Compound ID: | F235-2000 |
| Compound Name: | 2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one |
| Molecular Weight: | 386.47 |
| Molecular Formula: | C22 H18 N4 O S |
| Smiles: | Cc1ccc(cc1)n1c(c2ccncc2)nnc1SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.984 |
| logD: | 3.984 |
| logSw: | -3.8749 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.388 |
| InChI Key: | GDSHYVDDFQALBQ-UHFFFAOYSA-N |