1-[5-(2H-1,3-benzodioxol-5-yl)-3-phenyl-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-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-benzylpiperidin-1-yl)ethan-1-one
1-[5-(2H-1,3-benzodioxol-5-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-benzylpiperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V022-8587 |
| Compound Name: | 1-[5-(2H-1,3-benzodioxol-5-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-benzylpiperidin-1-yl)ethan-1-one |
| Molecular Weight: | 481.59 |
| Molecular Formula: | C30 H31 N3 O3 |
| Salt: | not_available |
| Smiles: | C1CN(CCC1Cc1ccccc1)CC(N1C(CC(c2ccccc2)=N1)c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9121 |
| logD: | 5.8358 |
| logSw: | -6.0861 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.435 |
| InChI Key: | RUECOLNZTVKUPB-MHZLTWQESA-N |