2-{[(2-chlorophenyl)methyl]sulfanyl}-1-[5-hydroxy-3-propyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
Chemical Structure Depiction of
2-{[(2-chlorophenyl)methyl]sulfanyl}-1-[5-hydroxy-3-propyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
2-{[(2-chlorophenyl)methyl]sulfanyl}-1-[5-hydroxy-3-propyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | 6237-0276 |
| Compound Name: | 2-{[(2-chlorophenyl)methyl]sulfanyl}-1-[5-hydroxy-3-propyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one |
| Molecular Weight: | 394.84 |
| Molecular Formula: | C16 H18 Cl F3 N2 O2 S |
| Smiles: | CCCC1CC(C(F)(F)F)(N(C(CSCc2ccccc2[Cl])=O)N=1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2244 |
| logD: | 4.2244 |
| logSw: | -4.0678 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.166 |
| InChI Key: | IPSBURKJMYWMAP-HNNXBMFYSA-N |