dimethyl 4-(2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Chemical Structure Depiction of
dimethyl 4-(2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
dimethyl 4-(2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Compound characteristics
| Compound ID: | 8016-2125 |
| Compound Name: | dimethyl 4-(2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate |
| Molecular Weight: | 481.52 |
| Molecular Formula: | C25 H23 N O7 S |
| Smiles: | CC1=C(C(C2=C(CC(C(C2=O)C(=O)OC)c2cccs2)N1)c1ccc2c(c1)OCO2)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6285 |
| logD: | -0.4599 |
| logSw: | -3.8759 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.03 |
| InChI Key: | HIBTZXAZKZYBSE-UHFFFAOYSA-N |