1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(3,4-dimethoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(3,4-dimethoxyphenyl)ethan-1-one
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(3,4-dimethoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | Y030-5394 |
| Compound Name: | 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(3,4-dimethoxyphenyl)ethan-1-one |
| Molecular Weight: | 398.46 |
| Molecular Formula: | C22 H26 N2 O5 |
| Smiles: | COc1ccc(CC(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.1873 |
| logD: | 1.8695 |
| logSw: | -2.6264 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.276 |
| InChI Key: | YRNCLUVVXRLLPY-UHFFFAOYSA-N |