(oxolan-2-yl)methyl 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
(oxolan-2-yl)methyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
(oxolan-2-yl)methyl 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: | 4568-7279 |
| Compound Name: | (oxolan-2-yl)methyl 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: | 554.62 |
| Molecular Formula: | C28 H30 N2 O8 S |
| Smiles: | CCOc1cc(cc(c1O)[N+]([O-])=O)C1C(=C(C)NC2CC(CC(C1=2)=O)c1cccs1)C(=O)OCC1CCCO1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4349 |
| logD: | 0.0891 |
| logSw: | -4.2827 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.95 |
| InChI Key: | VWSCDOWIYZDYOF-UHFFFAOYSA-N |