benzyl 2-methyl-4-(3-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
benzyl 2-methyl-4-(3-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
benzyl 2-methyl-4-(3-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 4737-7367 |
| Compound Name: | benzyl 2-methyl-4-(3-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 500.57 |
| Molecular Formula: | C28 H24 N2 O5 S |
| Smiles: | CC1=C(C(C2=C(CC(CC2=O)c2cccs2)N1)c1cccc(c1)[N+]([O-])=O)C(=O)OCc1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5012 |
| logD: | 1.4129 |
| logSw: | -5.4947 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.907 |
| InChI Key: | ZFCZCTGBUSFSJC-UHFFFAOYSA-N |