2-(ethylsulfanyl)ethyl 7-(4-ethoxy-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-(4-ethoxy-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-(4-ethoxy-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: | 8014-3521 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 7-(4-ethoxy-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: | 603.74 |
| Molecular Formula: | C34 H37 N O7 S |
| Smiles: | CCOc1ccc(cc1OC)C1CC2=C(C(C3=COc4ccc(C)cc4C3=O)C(=C(C)N2)C(=O)OCCSCC)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5381 |
| logD: | 0.8688 |
| logSw: | -5.4199 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.431 |
| InChI Key: | LBNSWCUCWBAHCQ-UHFFFAOYSA-N |