N~1~-benzyl-4-[4-cyano-3-(trifluoromethyl)phenyl]-N~3~-(2-methoxyethyl)piperazine-1,3-dicarboxamide
Chemical Structure Depiction of
N~1~-benzyl-4-[4-cyano-3-(trifluoromethyl)phenyl]-N~3~-(2-methoxyethyl)piperazine-1,3-dicarboxamide
N~1~-benzyl-4-[4-cyano-3-(trifluoromethyl)phenyl]-N~3~-(2-methoxyethyl)piperazine-1,3-dicarboxamide
Compound characteristics
| Compound ID: | S951-0476 |
| Compound Name: | N~1~-benzyl-4-[4-cyano-3-(trifluoromethyl)phenyl]-N~3~-(2-methoxyethyl)piperazine-1,3-dicarboxamide |
| Molecular Weight: | 489.5 |
| Molecular Formula: | C24 H26 F3 N5 O3 |
| Smiles: | COCCNC(C1CN(CCN1c1ccc(C#N)c(c1)C(F)(F)F)C(NCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4645 |
| logD: | 2.4645 |
| logSw: | -3.2368 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.842 |
| InChI Key: | AXCIODIHJFFSAG-NRFANRHFSA-N |