4-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-1-[(3-methylphenyl)acetyl]piperazine-2-carboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-1-[(3-methylphenyl)acetyl]piperazine-2-carboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-1-[(3-methylphenyl)acetyl]piperazine-2-carboxamide
Compound characteristics
| Compound ID: | S951-5269 |
| Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-1-[(3-methylphenyl)acetyl]piperazine-2-carboxamide |
| Molecular Weight: | 444.46 |
| Molecular Formula: | C23 H23 F3 N4 O2 |
| Smiles: | Cc1cccc(CC(N2CCN(CC2C(NC)=O)c2ccc(C#N)c(c2)C(F)(F)F)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.065 |
| logD: | 3.065 |
| logSw: | -3.2611 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.139 |
| InChI Key: | JGBWTIHIDMVGTN-FQEVSTJZSA-N |