butan-2-yl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
butan-2-yl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
butan-2-yl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 2398-3668 |
| Compound Name: | butan-2-yl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 584.51 |
| Molecular Formula: | C30 H34 Br N O6 |
| Smiles: | CCC(C)OC(C1C(C2=C(CC(CC2=O)c2ccc(cc2)OC)NC=1C)c1cc(c(c(c1)[Br])O)OCC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.9275 |
| logD: | 2.4472 |
| logSw: | -5.5802 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.199 |
| InChI Key: | PGYQQEYWYHVHOW-UHFFFAOYSA-N |