2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-N-[4-(trifluoromethoxy)phenyl]acetamide
Chemical Structure Depiction of
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-N-[4-(trifluoromethoxy)phenyl]acetamide
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-N-[4-(trifluoromethoxy)phenyl]acetamide
Compound characteristics
| Compound ID: | 8016-9227 |
| Compound Name: | 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-N-[4-(trifluoromethoxy)phenyl]acetamide |
| Molecular Weight: | 437.42 |
| Molecular Formula: | C21 H22 F3 N3 O4 |
| Smiles: | C1CN(CCN1CC(Nc1ccc(cc1)OC(F)(F)F)=O)Cc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 4.0676 |
| logD: | 3.236 |
| logSw: | -4.1787 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.713 |
| InChI Key: | CVJHCPZQGFLCFT-UHFFFAOYSA-N |