4-[4-cyano-3-(trifluoromethyl)phenyl]-N~3~-(2-methoxyethyl)-N~1~-(3-methylbutyl)piperazine-1,3-dicarboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-N~3~-(2-methoxyethyl)-N~1~-(3-methylbutyl)piperazine-1,3-dicarboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-N~3~-(2-methoxyethyl)-N~1~-(3-methylbutyl)piperazine-1,3-dicarboxamide
Compound characteristics
| Compound ID: | S951-0526 |
| Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-N~3~-(2-methoxyethyl)-N~1~-(3-methylbutyl)piperazine-1,3-dicarboxamide |
| Molecular Weight: | 469.51 |
| Molecular Formula: | C22 H30 F3 N5 O3 |
| Smiles: | CC(C)CCNC(N1CCN(C(C1)C(NCCOC)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9739 |
| logD: | 2.9739 |
| logSw: | -3.3079 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.955 |
| InChI Key: | SMHPPEJQDDQPTQ-IBGZPJMESA-N |