2-phenoxyethyl 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-phenoxyethyl 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-phenoxyethyl 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: | 5991-0258 |
| Compound Name: | 2-phenoxyethyl 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: | 590.65 |
| Molecular Formula: | C31 H30 N2 O8 S |
| Smiles: | CCOc1cc(cc(c1O)[N+]([O-])=O)C1C(=C(C)NC2CC(CC(C1=2)=O)c1cccs1)C(=O)OCCOc1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8472 |
| logD: | 1.5014 |
| logSw: | -5.3224 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.632 |
| InChI Key: | NDCFZRYTJPPKGU-UHFFFAOYSA-N |