1-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-benzylpiperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
1-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-benzylpiperidin-1-yl)ethan-1-one
1-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-benzylpiperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V021-9253 |
| Compound Name: | 1-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-benzylpiperidin-1-yl)ethan-1-one |
| Molecular Weight: | 495.62 |
| Molecular Formula: | C31 H33 N3 O3 |
| Smiles: | Cc1ccc(cc1)C1CC(c2ccc3c(c2)OCO3)N(C(CN2CCC(CC2)Cc2ccccc2)=O)N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4406 |
| logD: | 6.3642 |
| logSw: | -5.7614 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.435 |
| InChI Key: | GAWRFEOUEOMESI-NDEPHWFRSA-N |