2-(ethylsulfanyl)ethyl 7-(4-chlorophenyl)-2-methyl-5-oxo-4-{2-[(propan-2-yl)oxy]phenyl}-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 7-(4-chlorophenyl)-2-methyl-5-oxo-4-{2-[(propan-2-yl)oxy]phenyl}-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 7-(4-chlorophenyl)-2-methyl-5-oxo-4-{2-[(propan-2-yl)oxy]phenyl}-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 5991-0100 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 7-(4-chlorophenyl)-2-methyl-5-oxo-4-{2-[(propan-2-yl)oxy]phenyl}-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 540.12 |
| Molecular Formula: | C30 H34 Cl N O4 S |
| Smiles: | CCSCCOC(C1C(C2=C(CC(CC2=O)c2ccc(cc2)[Cl])NC=1C)c1ccccc1OC(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.9114 |
| logD: | 2.4312 |
| logSw: | -6.4795 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.587 |
| InChI Key: | KOOMBKMFZBOPKG-UHFFFAOYSA-N |