2-(ethylsulfanyl)ethyl 7-(2-chlorophenyl)-2-methyl-5-oxo-4-(4-oxo-4H-1-benzopyran-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 7-(2-chlorophenyl)-2-methyl-5-oxo-4-(4-oxo-4H-1-benzopyran-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 7-(2-chlorophenyl)-2-methyl-5-oxo-4-(4-oxo-4H-1-benzopyran-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 8014-0911 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 7-(2-chlorophenyl)-2-methyl-5-oxo-4-(4-oxo-4H-1-benzopyran-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 550.07 |
| Molecular Formula: | C30 H28 Cl N O5 S |
| Smiles: | CCSCCOC(C1C(C2=COc3ccccc3C2=O)C2=C(CC(CC2=O)c2ccccc2[Cl])NC=1C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7594 |
| logD: | 1.0901 |
| logSw: | -5.8305 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.591 |
| InChI Key: | ZTYLHPKCGGGYNS-UHFFFAOYSA-N |