4-[4-cyano-3-(trifluoromethyl)phenyl]-N~2~-(2-methoxyethyl)-N~1~-(2-methylpropyl)piperazine-1,2-dicarboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-N~2~-(2-methoxyethyl)-N~1~-(2-methylpropyl)piperazine-1,2-dicarboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-N~2~-(2-methoxyethyl)-N~1~-(2-methylpropyl)piperazine-1,2-dicarboxamide
Compound characteristics
| Compound ID: | S951-5493 |
| Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-N~2~-(2-methoxyethyl)-N~1~-(2-methylpropyl)piperazine-1,2-dicarboxamide |
| Molecular Weight: | 455.48 |
| Molecular Formula: | C21 H28 F3 N5 O3 |
| Smiles: | CC(C)CNC(N1CCN(CC1C(NCCOC)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3354 |
| logD: | 2.3354 |
| logSw: | -3.0293 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.114 |
| InChI Key: | PUOYPMCLJFMDHF-SFHVURJKSA-N |