2-(ethylsulfanyl)ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 4099-6448 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 572.52 |
| Molecular Formula: | C28 H30 Br N O5 S |
| Smiles: | CCSCCOC(C1C(C2=C(CC(CC2=O)c2ccccc2)NC=1C)c1cc(c(c(c1)[Br])O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5586 |
| logD: | 1.0783 |
| logSw: | -5.27 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.807 |
| InChI Key: | MNNOWJDFXPBZBS-UHFFFAOYSA-N |