4-[2-(4-chlorophenyl)-2-{[4-(trifluoromethyl)phenyl]methoxy}ethyl]-N-[4-(cyanomethyl)phenyl]piperazine-1-carboxamide
Chemical Structure Depiction of
4-[2-(4-chlorophenyl)-2-{[4-(trifluoromethyl)phenyl]methoxy}ethyl]-N-[4-(cyanomethyl)phenyl]piperazine-1-carboxamide
4-[2-(4-chlorophenyl)-2-{[4-(trifluoromethyl)phenyl]methoxy}ethyl]-N-[4-(cyanomethyl)phenyl]piperazine-1-carboxamide
Compound characteristics
| Compound ID: | V002-0066 |
| Compound Name: | 4-[2-(4-chlorophenyl)-2-{[4-(trifluoromethyl)phenyl]methoxy}ethyl]-N-[4-(cyanomethyl)phenyl]piperazine-1-carboxamide |
| Molecular Weight: | 557.02 |
| Molecular Formula: | C29 H28 Cl F3 N4 O2 |
| Salt: | not_available |
| Smiles: | C(C#N)c1ccc(cc1)NC(N1CCN(CC1)CC(c1ccc(cc1)[Cl])OCc1ccc(cc1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1036 |
| logD: | 5.0383 |
| logSw: | -5.8699 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.62 |
| InChI Key: | DUVBNXCSKKQGFS-MHZLTWQESA-N |