3-ethyl 6-methyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Chemical Structure Depiction of
3-ethyl 6-methyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
3-ethyl 6-methyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Compound characteristics
Compound ID: | C119-0076 |
Compound Name: | 3-ethyl 6-methyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate |
Molecular Weight: | 488.49 |
Molecular Formula: | C24 H28 N2 O9 |
Smiles: | CCOC(C1C(C2=C(CC(C)C(C2=O)C(=O)OC)NC=1C)c1cc(c(c(c1)OCC)O)[N+]([O-])=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.6122 |
logD: | -0.2218 |
logSw: | -3.8953 |
Hydrogen bond acceptors count: | 14 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 121.517 |
InChI Key: | IAWPXPJCELJACP-UHFFFAOYSA-N |