3-(2H-1,3-benzodioxol-5-yl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}prop-2-en-1-one
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}prop-2-en-1-one
3-(2H-1,3-benzodioxol-5-yl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}prop-2-en-1-one
Compound characteristics
| Compound ID: | Y032-2076 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}prop-2-en-1-one |
| Molecular Weight: | 404.39 |
| Molecular Formula: | C21 H19 F3 N2 O3 |
| Smiles: | C1CN(CCN1C(/C=C/c1ccc2c(c1)OCO2)=O)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.2387 |
| logD: | 4.2387 |
| logSw: | -4.4384 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.735 |
| InChI Key: | HSNQIXDBLDMDJI-UHFFFAOYSA-N |