methyl 4-(2H-1,3-benzodioxol-5-yl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-(2H-1,3-benzodioxol-5-yl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-(2H-1,3-benzodioxol-5-yl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 8011-3326 |
| Compound Name: | methyl 4-(2H-1,3-benzodioxol-5-yl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 477.51 |
| Molecular Formula: | C27 H27 N O7 |
| Smiles: | CC1=C(C(C2=C(CC(CC2=O)c2ccc(c(c2)OC)OC)N1)c1ccc2c(c1)OCO2)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0304 |
| logD: | -0.4499 |
| logSw: | -4.1879 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.2 |
| InChI Key: | ZACANYVGOMUDRH-UHFFFAOYSA-N |