propan-2-yl 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
propan-2-yl 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
propan-2-yl 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: | 2576-4110 |
| Compound Name: | propan-2-yl 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: | 554.44 |
| Molecular Formula: | C28 H28 Br N O6 |
| Smiles: | CC(C)OC(C1C(C2=C(CC(CC2=O)c2ccc(cc2)OC)NC=1C)c1cc2c(cc1[Br])OCO2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9998 |
| logD: | 1.6827 |
| logSw: | -5.4953 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.742 |
| InChI Key: | KFHKMMHGGFDJBK-UHFFFAOYSA-N |