ethyl 2-ethyl-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
ethyl 2-ethyl-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
ethyl 2-ethyl-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 1630-0617 |
| Compound Name: | ethyl 2-ethyl-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 398.46 |
| Molecular Formula: | C22 H26 N2 O5 |
| Smiles: | CCC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1cccc(c1)[N+]([O-])=O)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2432 |
| logD: | -0.2961 |
| logSw: | -4.3642 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.663 |
| InChI Key: | WQXWYBGJIKUJQL-GOSISDBHSA-N |