2-(ethylsulfanyl)ethyl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 4099-6687 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 572.12 |
| Molecular Formula: | C30 H34 Cl N O6 S |
| Smiles: | CCOc1cc(cc(c1O)[Cl])C1C(=C(C)NC2CC(CC(C1=2)=O)c1ccc(cc1)OC)C(=O)OCCSCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.5977 |
| logD: | 2.1174 |
| logSw: | -5.9057 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.931 |
| InChI Key: | OBBARAORXXPLLL-UHFFFAOYSA-N |