2-(ethylsulfanyl)ethyl 7-(2-chlorophenyl)-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-(2-chlorophenyl)-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-(2-chlorophenyl)-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: | 5991-0398 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 7-(2-chlorophenyl)-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: | 564.1 |
| Molecular Formula: | C31 H30 Cl N O5 S |
| Smiles: | CCSCCOC(C1C(C2=COc3ccc(C)cc3C2=O)C2=C(CC(CC2=O)c2ccccc2[Cl])NC=1C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1676 |
| logD: | 1.4983 |
| logSw: | -6.0059 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.591 |
| InChI Key: | CNPJORRGCZZAMZ-UHFFFAOYSA-N |