ethyl 2-({2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-({2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-({2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
Compound ID: | 8015-8111 |
Compound Name: | ethyl 2-({2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
Molecular Weight: | 536.71 |
Molecular Formula: | C29 H32 N2 O4 S2 |
Smiles: | CCOC(c1c2CCCCc2sc1NC(C1C(C2=C(CCCC2=O)NC=1C)c1ccc(cc1)SC)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.6717 |
logD: | 3.8064 |
logSw: | -5.5526 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 67.481 |
InChI Key: | ZLVPWMPCLHGFAZ-DEOSSOPVSA-N |