4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(3-fluorobenzoyl)-N,N-dimethylpiperazine-2-carboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(3-fluorobenzoyl)-N,N-dimethylpiperazine-2-carboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(3-fluorobenzoyl)-N,N-dimethylpiperazine-2-carboxamide
Compound characteristics
| Compound ID: | S951-5596 |
| Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(3-fluorobenzoyl)-N,N-dimethylpiperazine-2-carboxamide |
| Molecular Weight: | 448.42 |
| Molecular Formula: | C22 H20 F4 N4 O2 |
| Smiles: | CN(C)C(C1CN(CCN1C(c1cccc(c1)F)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3938 |
| logD: | 2.3938 |
| logSw: | -2.8561 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 52.831 |
| InChI Key: | XRMPPKGJCNJTOZ-IBGZPJMESA-N |