4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(2-methoxy-5-methylphenyl)piperazine-1,2-dicarboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(2-methoxy-5-methylphenyl)piperazine-1,2-dicarboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(2-methoxy-5-methylphenyl)piperazine-1,2-dicarboxamide
Compound characteristics
| Compound ID: | S951-5121 |
| Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(2-methoxy-5-methylphenyl)piperazine-1,2-dicarboxamide |
| Molecular Weight: | 461.44 |
| Molecular Formula: | C22 H22 F3 N5 O3 |
| Smiles: | Cc1ccc(c(c1)NC(N1CCN(CC1C(N)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4904 |
| logD: | 2.4904 |
| logSw: | -3.0776 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.643 |
| InChI Key: | QRHAUFBNOQWSTH-SFHVURJKSA-N |