4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]piperazine-1-carboxamide
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]piperazine-1-carboxamide
4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]piperazine-1-carboxamide
Compound characteristics
| Compound ID: | Y206-3985 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]piperazine-1-carboxamide |
| Molecular Weight: | 441.84 |
| Molecular Formula: | C20 H19 Cl F3 N3 O3 |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(Nc1cc(ccc1[Cl])C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2708 |
| logD: | 3.0908 |
| logSw: | -4.5286 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.666 |
| InChI Key: | NGRIBWCQOXILJJ-UHFFFAOYSA-N |