1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(2,4-dichlorophenyl)prop-2-en-1-one
Chemical Structure Depiction of
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(2,4-dichlorophenyl)prop-2-en-1-one
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(2,4-dichlorophenyl)prop-2-en-1-one
Compound characteristics
| Compound ID: | Y500-5252 |
| Compound Name: | 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(2,4-dichlorophenyl)prop-2-en-1-one |
| Molecular Weight: | 419.31 |
| Molecular Formula: | C21 H20 Cl2 N2 O3 |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(/C=C\c1ccc(cc1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3658 |
| logD: | 4.1834 |
| logSw: | -4.4173 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.015 |
| InChI Key: | DBXFMQNJWDFZCJ-UHFFFAOYSA-N |