2-(ethylsulfanyl)ethyl 7-(2-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 7-(2-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 7-(2-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 5991-0274 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 7-(2-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 522.62 |
| Molecular Formula: | C28 H30 N2 O6 S |
| Smiles: | CCSCCOC(C1C(C2=C(CC(CC2=O)c2ccccc2OC)NC=1C)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.623 |
| logD: | 1.1427 |
| logSw: | -5.4716 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.709 |
| InChI Key: | KJXSTIPCKLFCFB-UHFFFAOYSA-N |