3-cyclohexyl 6-methyl 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
3-cyclohexyl 6-methyl 4-(2H-1,3-benzodioxol-5-yl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
3-cyclohexyl 6-methyl 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: | C142-0411 |
| Compound Name: | 3-cyclohexyl 6-methyl 4-(2H-1,3-benzodioxol-5-yl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate |
| Molecular Weight: | 481.55 |
| Molecular Formula: | C27 H31 N O7 |
| Smiles: | CC1CC2=C(C(C(=C(C)N2)C(=O)OC2CCCCC2)c2ccc3c(c2)OCO3)C(C1C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8272 |
| logD: | 0.9932 |
| logSw: | -4.6187 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.193 |
| InChI Key: | ZYIYQHDZKJBLOP-UHFFFAOYSA-N |