2-{[4-cyclohexyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one
Chemical Structure Depiction of
2-{[4-cyclohexyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one
2-{[4-cyclohexyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8014-2577 |
| Compound Name: | 2-{[4-cyclohexyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one |
| Molecular Weight: | 464.39 |
| Molecular Formula: | C22 H20 Cl2 F N3 O S |
| Smiles: | C1CCC(CC1)n1c(c2ccc(cc2[Cl])[Cl])nnc1SCC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1939 |
| logD: | 6.1939 |
| logSw: | -6.2758 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.792 |
| InChI Key: | JMUWOFPSHKIEEW-UHFFFAOYSA-N |