1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
Chemical Structure Depiction of
1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
Compound characteristics
Compound ID: | S951-0259 |
Compound Name: | 1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide |
Molecular Weight: | 417.39 |
Molecular Formula: | C20 H18 F3 N5 O2 |
Smiles: | CNC(C1CN(CCN1c1ccc(C#N)c(c1)C(F)(F)F)C(c1cccnc1)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 0.8069 |
logD: | 0.8069 |
logSw: | -1.657 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 71.184 |
InChI Key: | BBJQSPONYNZSCZ-KRWDZBQOSA-N |