3-[2-(ethylsulfanyl)ethyl] 6-methyl 2,7-dimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Chemical Structure Depiction of
3-[2-(ethylsulfanyl)ethyl] 6-methyl 2,7-dimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
3-[2-(ethylsulfanyl)ethyl] 6-methyl 2,7-dimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Compound characteristics
| Compound ID: | C119-0086 |
| Compound Name: | 3-[2-(ethylsulfanyl)ethyl] 6-methyl 2,7-dimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate |
| Molecular Weight: | 488.56 |
| Molecular Formula: | C24 H28 N2 O7 S |
| Smiles: | CCSCCOC(C1C(C2=C(CC(C)C(C2=O)C(=O)OC)NC=1C)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7647 |
| logD: | -0.0693 |
| logSw: | -4.0157 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.423 |
| InChI Key: | LBYIMTCVYKHFHC-UHFFFAOYSA-N |