2-(ethylsulfanyl)ethyl 7-(3-methoxyphenyl)-2-methyl-4-(6-methyl-4-oxo-4H-1-benzopyran-3-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-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 7-(3-methoxyphenyl)-2-methyl-4-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 5991-0566 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 7-(3-methoxyphenyl)-2-methyl-4-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 559.68 |
| Molecular Formula: | C32 H33 N O6 S |
| Smiles: | CCSCCOC(C1C(C2=COc3ccc(C)cc3C2=O)C2=C(CC(CC2=O)c2cccc(c2)OC)NC=1C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5502 |
| logD: | 0.8809 |
| logSw: | -5.3947 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.134 |
| InChI Key: | IUPQEXNWHXYOGR-UHFFFAOYSA-N |