1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-[(pyridin-4-yl)acetyl]piperazine-2-carboxamide
Chemical Structure Depiction of
1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-[(pyridin-4-yl)acetyl]piperazine-2-carboxamide
1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-[(pyridin-4-yl)acetyl]piperazine-2-carboxamide
Compound characteristics
| Compound ID: | S951-0221 |
| Compound Name: | 1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-[(pyridin-4-yl)acetyl]piperazine-2-carboxamide |
| Molecular Weight: | 431.42 |
| Molecular Formula: | C21 H20 F3 N5 O2 |
| Smiles: | CNC(C1CN(CCN1c1ccc(C#N)c(c1)C(F)(F)F)C(Cc1ccncc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0536 |
| logD: | 1.041 |
| logSw: | -1.9002 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.567 |
| InChI Key: | DGXJHNCGGIEXOG-SFHVURJKSA-N |