2-{[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
Chemical Structure Depiction of
2-{[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
2-{[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
Compound characteristics
| Compound ID: | V001-8748 |
| Compound Name: | 2-{[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one |
| Molecular Weight: | 419.93 |
| Molecular Formula: | C23 H18 Cl N3 O S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1n1c(c2ccccc2[Cl])nnc1SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4004 |
| logD: | 5.4004 |
| logSw: | -5.727 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.659 |
| InChI Key: | BDNGMWVJEOCQCZ-UHFFFAOYSA-N |