4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-cyclohexyl-N~2~,N~2~-dimethylpiperazine-1,2-dicarboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-cyclohexyl-N~2~,N~2~-dimethylpiperazine-1,2-dicarboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-cyclohexyl-N~2~,N~2~-dimethylpiperazine-1,2-dicarboxamide
Compound characteristics
| Compound ID: | S951-5583 |
| Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-cyclohexyl-N~2~,N~2~-dimethylpiperazine-1,2-dicarboxamide |
| Molecular Weight: | 451.49 |
| Molecular Formula: | C22 H28 F3 N5 O2 |
| Smiles: | CN(C)C(C1CN(CCN1C(NC1CCCCC1)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8797 |
| logD: | 2.8797 |
| logSw: | -3.3829 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.7 |
| InChI Key: | PEJONMIBDRMBNB-IBGZPJMESA-N |