2-(ethylsulfanyl)ethyl 7-(4-chlorophenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 7-(4-chlorophenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 7-(4-chlorophenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 4099-6667 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 7-(4-chlorophenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 527.04 |
| Molecular Formula: | C27 H27 Cl N2 O5 S |
| Smiles: | CCSCCOC(C1C(C2=C(CC(CC2=O)c2ccc(cc2)[Cl])NC=1C)c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0031 |
| logD: | 1.5228 |
| logSw: | -6.3465 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.079 |
| InChI Key: | IZBJYMSIRNXXOS-UHFFFAOYSA-N |