2-[(propan-2-yl)oxy]ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-[(propan-2-yl)oxy]ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-[(propan-2-yl)oxy]ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 5991-0397 |
| Compound Name: | 2-[(propan-2-yl)oxy]ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 600.51 |
| Molecular Formula: | C30 H34 Br N O7 |
| Smiles: | CC(C)OCCOC(C1C(C2=C(CC(CC2=O)c2ccccc2OC)NC=1C)c1cc(c(c(c1)[Br])O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.105 |
| logD: | 0.6247 |
| logSw: | -4.8003 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.639 |
| InChI Key: | FZIJOJCAIICSRZ-UHFFFAOYSA-N |