2,7,7-trimethyl-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-5-oxo-N-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Chemical Structure Depiction of
2,7,7-trimethyl-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-5-oxo-N-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
2,7,7-trimethyl-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-5-oxo-N-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Compound characteristics
Compound ID: | 4306-0851 |
Compound Name: | 2,7,7-trimethyl-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-5-oxo-N-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide |
Molecular Weight: | 520.64 |
Molecular Formula: | C26 H27 F3 N2 O2 S2 |
Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1cc(C)sc1SC)C(Nc1cccc(c1)C(F)(F)F)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 6.7608 |
logD: | 4.7774 |
logSw: | -5.7747 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 48.031 |
InChI Key: | ORIJFVGZWBZVCO-NRFANRHFSA-N |