1-[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]-2-{[(2-methylphenyl)methyl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]-2-{[(2-methylphenyl)methyl]sulfanyl}ethan-1-one
1-[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]-2-{[(2-methylphenyl)methyl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | Y203-3789 |
| Compound Name: | 1-[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]-2-{[(2-methylphenyl)methyl]sulfanyl}ethan-1-one |
| Molecular Weight: | 328.38 |
| Molecular Formula: | C15 H18 F2 N2 O2 S |
| Smiles: | CC1CC(C(F)F)(N(C(CSCc2ccccc2C)=O)N=1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9783 |
| logD: | 2.9783 |
| logSw: | -3.0032 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.435 |
| InChI Key: | WKJXWWUUGRZADZ-HNNXBMFYSA-N |