1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[(3-methoxyphenyl)acetyl]piperazine-2-carboxamide
Chemical Structure Depiction of
1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[(3-methoxyphenyl)acetyl]piperazine-2-carboxamide
1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[(3-methoxyphenyl)acetyl]piperazine-2-carboxamide
Compound characteristics
| Compound ID: | S951-0020 |
| Compound Name: | 1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[(3-methoxyphenyl)acetyl]piperazine-2-carboxamide |
| Molecular Weight: | 446.43 |
| Molecular Formula: | C22 H21 F3 N4 O3 |
| Smiles: | COc1cccc(CC(N2CCN(C(C2)C(N)=O)c2ccc(C#N)c(c2)C(F)(F)F)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3146 |
| logD: | 2.3146 |
| logSw: | -2.8103 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.906 |
| InChI Key: | HBPLBBMHQJJGIG-IBGZPJMESA-N |