4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(3,5-dimethylbenzoyl)-N-methylpiperazine-2-carboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(3,5-dimethylbenzoyl)-N-methylpiperazine-2-carboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(3,5-dimethylbenzoyl)-N-methylpiperazine-2-carboxamide
Compound characteristics
| Compound ID: | S951-5178 |
| Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(3,5-dimethylbenzoyl)-N-methylpiperazine-2-carboxamide |
| Molecular Weight: | 444.46 |
| Molecular Formula: | C23 H23 F3 N4 O2 |
| Smiles: | Cc1cc(C)cc(c1)C(N1CCN(CC1C(NC)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0748 |
| logD: | 3.0748 |
| logSw: | -3.273 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.666 |
| InChI Key: | ZKJYMRLNUOPCMP-FQEVSTJZSA-N |