1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(2-chlorophenyl)prop-2-en-1-one
Chemical Structure Depiction of
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(2-chlorophenyl)prop-2-en-1-one
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(2-chlorophenyl)prop-2-en-1-one
Compound characteristics
| Compound ID: | Y032-1694 |
| Compound Name: | 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(2-chlorophenyl)prop-2-en-1-one |
| Molecular Weight: | 384.86 |
| Molecular Formula: | C21 H21 Cl N2 O3 |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(/C=C/c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5167 |
| logD: | 3.3342 |
| logSw: | -3.6898 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.015 |
| InChI Key: | NYAFUNLQYDWRAV-UHFFFAOYSA-N |