2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-7-phenyl-N-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Chemical Structure Depiction of
2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-7-phenyl-N-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-7-phenyl-N-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | 4023-0646 |
| Compound Name: | 2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-7-phenyl-N-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide |
| Molecular Weight: | 548.63 |
| Molecular Formula: | C31 H27 F3 N2 O2 S |
| Smiles: | CC1=C(C(C2=C(CC(CC2=O)c2ccccc2)N1)c1ccc(cc1)SC)C(Nc1ccccc1C(F)(F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.0735 |
| logD: | 4.9393 |
| logSw: | -5.7743 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.043 |
| InChI Key: | ABHIDSGQJMLXND-UHFFFAOYSA-N |