2-phenylethyl 7-(4-chlorophenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-phenylethyl 7-(4-chlorophenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-phenylethyl 7-(4-chlorophenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 5991-0079 |
| Compound Name: | 2-phenylethyl 7-(4-chlorophenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 543.02 |
| Molecular Formula: | C31 H27 Cl N2 O5 |
| Smiles: | CC1=C(C(C2=C(CC(CC2=O)c2ccc(cc2)[Cl])N1)c1ccc(cc1)[N+]([O-])=O)C(=O)OCCc1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.0494 |
| logD: | 2.5691 |
| logSw: | -6.5588 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.808 |
| InChI Key: | LIBSZQHKIMAKRV-UHFFFAOYSA-N |