2-[(propan-2-yl)oxy]ethyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-[(propan-2-yl)oxy]ethyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-[(propan-2-yl)oxy]ethyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 4737-7548 |
| Compound Name: | 2-[(propan-2-yl)oxy]ethyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 556.63 |
| Molecular Formula: | C28 H32 N2 O8 S |
| Smiles: | CCOc1cc(cc(c1O)[N+]([O-])=O)C1C(=C(C)NC2CC(CC(C1=2)=O)c1cccs1)C(=O)OCCOC(C)C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7778 |
| logD: | 0.432 |
| logSw: | -4.4963 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.687 |
| InChI Key: | VQNCYNJIFGQWBE-UHFFFAOYSA-N |