2-(ethylsulfanyl)ethyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 2431-3879 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 507.65 |
| Molecular Formula: | C29 H33 N O5 S |
| Smiles: | CCOc1cc(ccc1O)C1C(=C(C)NC2CC(CC(C1=2)=O)c1ccccc1)C(=O)OCCSCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3048 |
| logD: | 0.8246 |
| logSw: | -5.0751 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.456 |
| InChI Key: | FFADTWNXPGLRJO-UHFFFAOYSA-N |