methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-methyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
Chemical Structure Depiction of
methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-methyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-methyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
Compound characteristics
| Compound ID: | C276-1300 |
| Compound Name: | methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-methyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate |
| Molecular Weight: | 452.3 |
| Molecular Formula: | C20 H22 Br N O6 |
| Smiles: | CCOc1cc(cc(c1O)[Br])C1CC(NC2CC(C)C(C(C1=2)=O)C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5374 |
| logD: | 1.8459 |
| logSw: | -2.6449 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.768 |
| InChI Key: | YFNQXFWZDSWJQG-UHFFFAOYSA-N |