ethyl 2-methyl-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
ethyl 2-methyl-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
ethyl 2-methyl-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 4306-0639 |
| Compound Name: | ethyl 2-methyl-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 453.62 |
| Molecular Formula: | C25 H27 N O3 S2 |
| Smiles: | CCOC(C1C(C2=C(CC(CC2=O)c2ccccc2)NC=1C)c1cc(C)sc1SC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.304 |
| logD: | 1.7829 |
| logSw: | -5.4791 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.422 |
| InChI Key: | XRYKDIWCFLHMDO-UHFFFAOYSA-N |