methyl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | K813-0125 |
| Compound Name: | methyl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 424.47 |
| Molecular Formula: | C22 H20 N2 O5 S |
| Smiles: | CC1=C(C(C2=C(CC(CC2=O)c2cccs2)N1)c1ccc(cc1)[N+]([O-])=O)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.048 |
| logD: | -0.2978 |
| logSw: | -4.2218 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.223 |
| InChI Key: | IVBIIYKBHXZVET-UHFFFAOYSA-N |