2-(ethylsulfanyl)ethyl 7-(2-chlorophenyl)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 7-(2-chlorophenyl)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 7-(2-chlorophenyl)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 5071-7794 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 7-(2-chlorophenyl)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 498.04 |
| Molecular Formula: | C27 H28 Cl N O4 S |
| Smiles: | CCSCCOC(C1C(C2=C(CC(CC2=O)c2ccccc2[Cl])NC=1C)c1cccc(c1)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5704 |
| logD: | 1.0902 |
| logSw: | -5.4737 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.315 |
| InChI Key: | KPRLEQTWOIFKTE-UHFFFAOYSA-N |