methyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-7-methyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
Chemical Structure Depiction of
methyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-7-methyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
methyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-7-methyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
Compound characteristics
| Compound ID: | C276-1304 |
| Compound Name: | methyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-7-methyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate |
| Molecular Weight: | 404.37 |
| Molecular Formula: | C19 H20 N2 O8 |
| Smiles: | CC1CC2=C(C(CC(N2)=O)c2cc(c(c(c2)OC)O)[N+]([O-])=O)C(C1C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.4113 |
| logD: | 0.7198 |
| logSw: | -2.2564 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.269 |
| InChI Key: | WMIJSAGZOZZEFK-UHFFFAOYSA-N |