2-(ethylsulfanyl)ethyl 7-(2-chlorophenyl)-2-methyl-4-(5-methylthiophen-2-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-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 7-(2-chlorophenyl)-2-methyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 5991-0600 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 7-(2-chlorophenyl)-2-methyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 502.09 |
| Molecular Formula: | C26 H28 Cl N O3 S2 |
| Smiles: | CCSCCOC(C1C(C2=C(CC(CC2=O)c2ccccc2[Cl])NC=1C)c1ccc(C)s1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.4291 |
| logD: | 1.7963 |
| logSw: | -6.0872 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.716 |
| InChI Key: | WUQRJCMDUKIEBZ-UHFFFAOYSA-N |