N-(3-fluorophenyl)-2-methyl-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Chemical Structure Depiction of
N-(3-fluorophenyl)-2-methyl-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
N-(3-fluorophenyl)-2-methyl-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | 4306-0999 |
| Compound Name: | N-(3-fluorophenyl)-2-methyl-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide |
| Molecular Weight: | 518.67 |
| Molecular Formula: | C29 H27 F N2 O2 S2 |
| Smiles: | CC1=C(C(C2=C(CC(CC2=O)c2ccccc2)N1)c1cc(C)sc1SC)C(Nc1cccc(c1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.072 |
| logD: | 4.8972 |
| logSw: | -5.6706 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.759 |
| InChI Key: | ZVHIJYWMACXCML-UHFFFAOYSA-N |