4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(2-methylphenyl)piperazine-1,3-dicarboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(2-methylphenyl)piperazine-1,3-dicarboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(2-methylphenyl)piperazine-1,3-dicarboxamide
Compound characteristics
Compound ID: | S951-0118 |
Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(2-methylphenyl)piperazine-1,3-dicarboxamide |
Molecular Weight: | 431.42 |
Molecular Formula: | C21 H20 F3 N5 O2 |
Smiles: | Cc1ccccc1NC(N1CCN(C(C1)C(N)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.4918 |
logD: | 2.4918 |
logSw: | -3.0965 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 79.013 |
InChI Key: | FNLDYFHLCVNPIU-SFHVURJKSA-N |