4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(furan-3-carbonyl)-N-(2-methoxyethyl)piperazine-2-carboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(furan-3-carbonyl)-N-(2-methoxyethyl)piperazine-2-carboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(furan-3-carbonyl)-N-(2-methoxyethyl)piperazine-2-carboxamide
Compound characteristics
Compound ID: | S951-5406 |
Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(furan-3-carbonyl)-N-(2-methoxyethyl)piperazine-2-carboxamide |
Molecular Weight: | 450.42 |
Molecular Formula: | C21 H21 F3 N4 O4 |
Smiles: | COCCNC(C1CN(CCN1C(c1ccoc1)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 1.964 |
logD: | 1.964 |
logSw: | -2.7603 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 77.503 |
InChI Key: | AFFPBCSMFACSGC-SFHVURJKSA-N |