2-methoxyethyl 2-methyl-4-(4-methyl-3-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-methoxyethyl 2-methyl-4-(4-methyl-3-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-methoxyethyl 2-methyl-4-(4-methyl-3-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 4737-7391 |
| Compound Name: | 2-methoxyethyl 2-methyl-4-(4-methyl-3-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 482.55 |
| Molecular Formula: | C25 H26 N2 O6 S |
| Smiles: | CC1=C(C(C2=C(CC(CC2=O)c2cccs2)N1)c1ccc(C)c(c1)[N+]([O-])=O)C(=O)OCCOC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0321 |
| logD: | -0.3137 |
| logSw: | -4.1984 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.139 |
| InChI Key: | DUXBUVLTCXRQTF-UHFFFAOYSA-N |