dimethyl 4-(2H-1,3-benzodioxol-5-yl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Chemical Structure Depiction of
dimethyl 4-(2H-1,3-benzodioxol-5-yl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
dimethyl 4-(2H-1,3-benzodioxol-5-yl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Compound characteristics
| Compound ID: | 8014-3594 |
| Compound Name: | dimethyl 4-(2H-1,3-benzodioxol-5-yl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate |
| Molecular Weight: | 413.43 |
| Molecular Formula: | C22 H23 N O7 |
| Smiles: | CC1CC2=C(C(C(=C(C)N2)C(=O)OC)c2ccc3c(c2)OCO3)C(C1C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8292 |
| logD: | -1.0048 |
| logSw: | -3.3308 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.283 |
| InChI Key: | HPKNHOGSUNXFFK-UHFFFAOYSA-N |