methyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-methyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
Chemical Structure Depiction of
methyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-methyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
methyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-methyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
Compound characteristics
| Compound ID: | C276-1299 |
| Compound Name: | methyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-methyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate |
| Molecular Weight: | 438.27 |
| Molecular Formula: | C19 H20 Br N O6 |
| Smiles: | CC1CC2=C(C(CC(N2)=O)c2cc(c(c(c2)[Br])O)OC)C(C1C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.8319 |
| logD: | 1.1404 |
| logSw: | -2.2514 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.188 |
| InChI Key: | NXSISCUBSDSTEL-UHFFFAOYSA-N |