cyclohexyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
cyclohexyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
cyclohexyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 8009-3957 |
| Compound Name: | cyclohexyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 594.5 |
| Molecular Formula: | C31 H32 Br N O6 |
| Smiles: | CC1=C(C(C2=C(CC(CC2=O)c2ccc(cc2)OC)N1)c1cc2c(cc1[Br])OCO2)C(=O)OC1CCCCC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.1119 |
| logD: | 2.7948 |
| logSw: | -5.5482 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.393 |
| InChI Key: | KBCFUUIYAJMKDO-UHFFFAOYSA-N |