3-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
Chemical Structure Depiction of
3-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
3-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
Compound characteristics
Compound ID: | G663-0141 |
Compound Name: | 3-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one |
Molecular Weight: | 471.48 |
Molecular Formula: | C24 H24 F3 N5 O2 |
Smiles: | C1CCc2c(C1)cc1C(N(CC(N3CCN(CC3)c3cccc(c3)C(F)(F)F)=O)C=Nc1n2)=O |
Stereo: | ACHIRAL |
logP: | 3.2686 |
logD: | 3.2673 |
logSw: | -3.4014 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 56.605 |
InChI Key: | KWXUZDHGSSSLQF-UHFFFAOYSA-N |