butan-2-yl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
butan-2-yl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
butan-2-yl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 2496-3923 |
| Compound Name: | butan-2-yl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 574.9 |
| Molecular Formula: | C28 H29 Br Cl N O5 |
| Smiles: | CCC(C)OC(C1C(C2=C(CC(CC2=O)c2ccc(cc2)[Cl])NC=1C)c1cc(c(c(c1)[Br])O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.8343 |
| logD: | 2.354 |
| logSw: | -6.1801 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.075 |
| InChI Key: | ALSOYSLRAPHJEF-UHFFFAOYSA-N |