1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(3-fluoro-4-methylbenzoyl)-N-methylpiperazine-2-carboxamide
Chemical Structure Depiction of
1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(3-fluoro-4-methylbenzoyl)-N-methylpiperazine-2-carboxamide
1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(3-fluoro-4-methylbenzoyl)-N-methylpiperazine-2-carboxamide
Compound characteristics
Compound ID: | S951-0226 |
Compound Name: | 1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(3-fluoro-4-methylbenzoyl)-N-methylpiperazine-2-carboxamide |
Molecular Weight: | 448.42 |
Molecular Formula: | C22 H20 F4 N4 O2 |
Smiles: | Cc1ccc(cc1F)C(N1CCN(C(C1)C(NC)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.685 |
logD: | 2.685 |
logSw: | -3.0197 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 61.666 |
InChI Key: | DGVLXHQVDNMKSB-IBGZPJMESA-N |