2-(ethylsulfanyl)ethyl 4-(2-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 4-(2-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 4-(2-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
Compound ID: | 2398-3630 |
Compound Name: | 2-(ethylsulfanyl)ethyl 4-(2-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
Molecular Weight: | 417.54 |
Molecular Formula: | C23 H28 F N O3 S |
Smiles: | CCSCCOC(C1C(C2=C(CC(C)(C)CC2=O)NC=1C)c1ccccc1F)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.6517 |
logD: | 0.5277 |
logSw: | -4.4386 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 44.969 |
InChI Key: | CPIXDDWUZVKOQB-FQEVSTJZSA-N |