4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(2-methylpropyl)piperazine-1,2-dicarboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(2-methylpropyl)piperazine-1,2-dicarboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(2-methylpropyl)piperazine-1,2-dicarboxamide
Compound characteristics
| Compound ID: | S951-5126 |
| Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(2-methylpropyl)piperazine-1,2-dicarboxamide |
| Molecular Weight: | 397.4 |
| Molecular Formula: | C18 H22 F3 N5 O2 |
| Smiles: | CC(C)CNC(N1CCN(CC1C(N)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7993 |
| logD: | 1.7993 |
| logSw: | -2.659 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.304 |
| InChI Key: | LKABDVFHXSYLEM-HNNXBMFYSA-N |