1-(4-chloro-2-methoxybenzoyl)-4-[4-cyano-3-(trifluoromethyl)phenyl]piperazine-2-carboxamide
Chemical Structure Depiction of
1-(4-chloro-2-methoxybenzoyl)-4-[4-cyano-3-(trifluoromethyl)phenyl]piperazine-2-carboxamide
1-(4-chloro-2-methoxybenzoyl)-4-[4-cyano-3-(trifluoromethyl)phenyl]piperazine-2-carboxamide
Compound characteristics
| Compound ID: | S951-5035 |
| Compound Name: | 1-(4-chloro-2-methoxybenzoyl)-4-[4-cyano-3-(trifluoromethyl)phenyl]piperazine-2-carboxamide |
| Molecular Weight: | 466.85 |
| Molecular Formula: | C21 H18 Cl F3 N4 O3 |
| Smiles: | COc1cc(ccc1C(N1CCN(CC1C(N)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0027 |
| logD: | 3.0027 |
| logSw: | -3.4153 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.52 |
| InChI Key: | PMWDEGHPDSEKKS-KRWDZBQOSA-N |