ethyl 4-(2H-1,3-benzodioxol-5-yl)-2-ethyl-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
ethyl 4-(2H-1,3-benzodioxol-5-yl)-2-ethyl-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
ethyl 4-(2H-1,3-benzodioxol-5-yl)-2-ethyl-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 1630-0804 |
| Compound Name: | ethyl 4-(2H-1,3-benzodioxol-5-yl)-2-ethyl-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 397.47 |
| Molecular Formula: | C23 H27 N O5 |
| Smiles: | CCC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccc2c(c1)OCO2)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3316 |
| logD: | -0.2077 |
| logSw: | -4.382 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.397 |
| InChI Key: | SLWCQZCVYSATKX-LJQANCHMSA-N |