1-(4-methylphenyl)-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-methylphenyl)-2-{[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(4-methylphenyl)-2-{[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | V015-1304 |
| Compound Name: | 1-(4-methylphenyl)-2-{[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C23 H20 N4 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)C(CSc1nnc(c2ccncc2)n1c1ccccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4481 |
| logD: | 4.4481 |
| logSw: | -4.2292 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.087 |
| InChI Key: | CUROYXVUVMKBHG-UHFFFAOYSA-N |