2-[(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-hydroxypyrimidin-2-yl)sulfanyl]-1-(8-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one

Chemical Structure Depiction of
2-[(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-hydroxypyrimidin-2-yl)sulfanyl]-1-(8-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one
Available: 71 mg
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mg
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Compound characteristics

Compound ID: 4157-0370
Compound Name: 2-[(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-hydroxypyrimidin-2-yl)sulfanyl]-1-(8-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one
Molecular Weight: 634.28
Molecular Formula: C27 H24 Cl N3 O3 S5
Smiles: CCOc1ccc2c(c1)C1=C(C(C)(C)N2C(CSc2nc(CSc3ccc(cc3)[Cl])cc(n2)O)=O)SSC1=S
Stereo: ACHIRAL
logP: 6.8852
logD: 6.5819
logSw: -5.9911
Hydrogen bond acceptors count: 12
Hydrogen bond donors count: 1
Polar surface area: 55.806
InChI Key: WNFHLELYIVXBPG-UHFFFAOYSA-N
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