butan-2-yl 4-[4-(acetyloxy)-3-ethoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
butan-2-yl 4-[4-(acetyloxy)-3-ethoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
butan-2-yl 4-[4-(acetyloxy)-3-ethoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 3058-5059 |
| Compound Name: | butan-2-yl 4-[4-(acetyloxy)-3-ethoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 552.07 |
| Molecular Formula: | C31 H34 Cl N O6 |
| Smiles: | CCC(C)OC(C1C(C2=C(CC(CC2=O)c2ccc(cc2)[Cl])NC=1C)c1ccc(c(c1)OCC)OC(C)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.5377 |
| logD: | 2.0574 |
| logSw: | -6.4632 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.013 |
| InChI Key: | NUWXYZYFUCDFPK-UHFFFAOYSA-N |