2-(ethylsulfanyl)ethyl 4-(3-hydroxy-4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 4-(3-hydroxy-4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 4-(3-hydroxy-4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 8009-9582 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 4-(3-hydroxy-4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 417.52 |
| Molecular Formula: | C22 H27 N O5 S |
| Smiles: | CCSCCOC(C1C(C2=C(CCCC2=O)NC=1C)c1ccc(c(c1)O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.142 |
| logD: | -0.7537 |
| logSw: | -3.2128 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.148 |
| InChI Key: | JZAGDTBLZBMHHR-FQEVSTJZSA-N |