methyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 8009-3945 |
| Compound Name: | methyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 530.8 |
| Molecular Formula: | C25 H21 Br Cl N O5 |
| Smiles: | CC1=C(C(C2=C(CC(CC2=O)c2ccc(cc2)[Cl])N1)c1cc2c(cc1[Br])OCO2)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7262 |
| logD: | 1.4091 |
| logSw: | -6.2217 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.939 |
| InChI Key: | JPJGDYMZWKMZAG-UHFFFAOYSA-N |