2-(ethylsulfanyl)ethyl 7-(4-methoxyphenyl)-2-methyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 7-(4-methoxyphenyl)-2-methyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 7-(4-methoxyphenyl)-2-methyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 2984-4757 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 7-(4-methoxyphenyl)-2-methyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 566.63 |
| Molecular Formula: | C29 H30 N2 O8 S |
| Smiles: | CCSCCOC(C1C(C2=C(CC(CC2=O)c2ccc(cc2)OC)NC=1C)c1cc2c(cc1[N+]([O-])=O)OCO2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3877 |
| logD: | 0.9074 |
| logSw: | -5.3923 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.437 |
| InChI Key: | BXTPAMHHTFKSRS-UHFFFAOYSA-N |