4-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-1-(1-methyl-1H-pyrrole-2-carbonyl)piperazine-2-carboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-1-(1-methyl-1H-pyrrole-2-carbonyl)piperazine-2-carboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-1-(1-methyl-1H-pyrrole-2-carbonyl)piperazine-2-carboxamide
Compound characteristics
Compound ID: | S951-5238 |
Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-1-(1-methyl-1H-pyrrole-2-carbonyl)piperazine-2-carboxamide |
Molecular Weight: | 419.4 |
Molecular Formula: | C20 H20 F3 N5 O2 |
Smiles: | CNC(C1CN(CCN1C(c1cccn1C)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.1429 |
logD: | 2.1429 |
logSw: | -3.0169 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 64.083 |
InChI Key: | OMZKHFPRTGQFGR-KRWDZBQOSA-N |