butyl 4-(6-chloro-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
butyl 4-(6-chloro-2H-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
butyl 4-(6-chloro-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: | 2576-4114 |
Compound Name: | butyl 4-(6-chloro-2H-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
Molecular Weight: | 528.43 |
Molecular Formula: | C28 H27 Cl2 N O5 |
Smiles: | CCCCOC(C1C(C2=C(CC(CC2=O)c2ccc(cc2)[Cl])NC=1C)c1cc2c(cc1[Cl])OCO2)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 7.1834 |
logD: | 2.8663 |
logSw: | -6.5536 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 61.813 |
InChI Key: | SKBANHKKGIJHRC-UHFFFAOYSA-N |