N-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-4-[2-(4-chlorophenyl)-2-{[4-(trifluoromethyl)phenyl]methoxy}ethyl]piperazine-1-carboxamide
Chemical Structure Depiction of
N-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-4-[2-(4-chlorophenyl)-2-{[4-(trifluoromethyl)phenyl]methoxy}ethyl]piperazine-1-carboxamide
N-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-4-[2-(4-chlorophenyl)-2-{[4-(trifluoromethyl)phenyl]methoxy}ethyl]piperazine-1-carboxamide
Compound characteristics
| Compound ID: | V002-1618 |
| Compound Name: | N-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-4-[2-(4-chlorophenyl)-2-{[4-(trifluoromethyl)phenyl]methoxy}ethyl]piperazine-1-carboxamide |
| Molecular Weight: | 590.04 |
| Molecular Formula: | C30 H31 Cl F3 N3 O4 |
| Salt: | not_available |
| Smiles: | C(CNC(N1CCN(CC1)CC(c1ccc(cc1)[Cl])OCc1ccc(cc1)C(F)(F)F)=O)c1ccc2c(c1)OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5304 |
| logD: | 5.3812 |
| logSw: | -6.2781 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.408 |
| InChI Key: | QEVXMLNERHEMKS-NDEPHWFRSA-N |