1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
Chemical Structure Depiction of
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
Compound characteristics
| Compound ID: | Y032-2756 |
| Compound Name: | 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(3,4-dimethoxyphenyl)prop-2-en-1-one |
| Molecular Weight: | 410.47 |
| Molecular Formula: | C23 H26 N2 O5 |
| Smiles: | COc1ccc(/C=C/C(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.692 |
| logD: | 2.5096 |
| logSw: | -2.9807 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.276 |
| InChI Key: | MESKRQLALBMKHG-UHFFFAOYSA-N |