2-(ethylsulfanyl)ethyl 4-(6-chloro-4-oxo-4H-1-benzopyran-3-yl)-7-(3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 4-(6-chloro-4-oxo-4H-1-benzopyran-3-yl)-7-(3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 4-(6-chloro-4-oxo-4H-1-benzopyran-3-yl)-7-(3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 8014-3761 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 4-(6-chloro-4-oxo-4H-1-benzopyran-3-yl)-7-(3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 580.1 |
| Molecular Formula: | C31 H30 Cl N O6 S |
| Smiles: | CCSCCOC(C1C(C2=COc3ccc(cc3C2=O)[Cl])C2=C(CC(CC2=O)c2cccc(c2)OC)NC=1C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8245 |
| logD: | 1.1552 |
| logSw: | -5.9738 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.134 |
| InChI Key: | HGMLHMCEQHZZKJ-UHFFFAOYSA-N |