2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
Chemical Structure Depiction of
2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | Y203-3783 |
| Compound Name: | 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one |
| Molecular Weight: | 384.78 |
| Molecular Formula: | C14 H13 Cl F4 N2 O2 S |
| Smiles: | CC1CC(C(F)(F)F)(N(C(CSCc2ccc(cc2[Cl])F)=O)N=1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.641 |
| logD: | 3.641 |
| logSw: | -3.6603 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.435 |
| InChI Key: | JECWKGBCICLPSI-ZDUSSCGKSA-N |