4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(2-phenylethyl)piperazine-1,2-dicarboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(2-phenylethyl)piperazine-1,2-dicarboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(2-phenylethyl)piperazine-1,2-dicarboxamide
Compound characteristics
| Compound ID: | S951-5124 |
| Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(2-phenylethyl)piperazine-1,2-dicarboxamide |
| Molecular Weight: | 445.44 |
| Molecular Formula: | C22 H22 F3 N5 O2 |
| Smiles: | C(CNC(N1CCN(CC1C(N)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4365 |
| logD: | 2.4365 |
| logSw: | -3.2812 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.874 |
| InChI Key: | ADSORQDFXUCKAN-IBGZPJMESA-N |