2-(ethylsulfanyl)ethyl 4-[4-(benzyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 4-[4-(benzyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 4-[4-(benzyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 2524-3776 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 4-[4-(benzyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 583.75 |
| Molecular Formula: | C35 H37 N O5 S |
| Smiles: | CCSCCOC(C1C(C2=C(CC(CC2=O)c2ccccc2)NC=1C)c1ccc(c(c1)OC)OCc1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.7439 |
| logD: | 2.2636 |
| logSw: | -5.7067 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.642 |
| InChI Key: | VQAMBHNCYNEJJJ-UHFFFAOYSA-N |