2-(ethylsulfanyl)ethyl 7-(3-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 7-(3-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 7-(3-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 8014-3542 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 7-(3-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 481.61 |
| Molecular Formula: | C27 H31 N O5 S |
| Smiles: | CCSCCOC(C1C(C2=C(CC(CC2=O)c2cccc(c2)OC)NC=1C)c1ccc(C)o1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2093 |
| logD: | 0.5765 |
| logSw: | -5.0786 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.334 |
| InChI Key: | HNXMTUPLJVDEIL-UHFFFAOYSA-N |