6-methyl 3-{2-[(propan-2-yl)oxy]ethyl} 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
6-methyl 3-{2-[(propan-2-yl)oxy]ethyl} 4-(2H-1,3-benzodioxol-5-yl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
6-methyl 3-{2-[(propan-2-yl)oxy]ethyl} 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: | C142-0021 |
| Compound Name: | 6-methyl 3-{2-[(propan-2-yl)oxy]ethyl} 4-(2H-1,3-benzodioxol-5-yl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate |
| Molecular Weight: | 485.53 |
| Molecular Formula: | C26 H31 N O8 |
| Smiles: | CC1CC2=C(C(C(=C(C)N2)C(=O)OCCOC(C)C)c2ccc3c(c2)OCO3)C(C1C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1892 |
| logD: | -0.6448 |
| logSw: | -3.3764 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.358 |
| InChI Key: | PDRSTMYNXAPFRQ-UHFFFAOYSA-N |