1-[(2-chlorophenyl)acetyl]-4-[4-cyano-3-(trifluoromethyl)phenyl]piperazine-2-carboxamide
Chemical Structure Depiction of
1-[(2-chlorophenyl)acetyl]-4-[4-cyano-3-(trifluoromethyl)phenyl]piperazine-2-carboxamide
1-[(2-chlorophenyl)acetyl]-4-[4-cyano-3-(trifluoromethyl)phenyl]piperazine-2-carboxamide
Compound characteristics
Compound ID: | S951-5063 |
Compound Name: | 1-[(2-chlorophenyl)acetyl]-4-[4-cyano-3-(trifluoromethyl)phenyl]piperazine-2-carboxamide |
Molecular Weight: | 450.85 |
Molecular Formula: | C21 H18 Cl F3 N4 O2 |
Smiles: | C(C(N1CCN(CC1C(N)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O)c1ccccc1[Cl] |
Stereo: | RACEMIC MIXTURE |
logP: | 2.8898 |
logD: | 2.8897 |
logSw: | -3.5637 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 70.362 |
InChI Key: | RKUJLWKFFKDFON-SFHVURJKSA-N |