1-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-methylpiperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
1-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-methylpiperidin-1-yl)ethan-1-one
1-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-methylpiperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V022-8213 |
| Compound Name: | 1-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-methylpiperidin-1-yl)ethan-1-one |
| Molecular Weight: | 439.94 |
| Molecular Formula: | C24 H26 Cl N3 O3 |
| Salt: | not_available |
| Smiles: | CC1CCN(CC1)CC(N1C(CC(c2ccccc2[Cl])=N1)c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7664 |
| logD: | 4.5859 |
| logSw: | -4.8327 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.707 |
| InChI Key: | VTDLVXUQRPQHCJ-OAQYLSRUSA-N |