2-methoxyethyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-methoxyethyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-methoxyethyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 8013-8820 |
| Compound Name: | 2-methoxyethyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 538.55 |
| Molecular Formula: | C28 H30 N2 O9 |
| Smiles: | CC1=C(C(C2=C(CC(CC2=O)c2ccccc2OC)N1)c1cc(c(c(c1)OC)O)[N+]([O-])=O)C(=O)OCCOC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8408 |
| logD: | -0.6395 |
| logSw: | -4.0069 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 116.861 |
| InChI Key: | DAGDKBZJUOWHHN-UHFFFAOYSA-N |