2-({7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide

Chemical Structure Depiction of
2-({7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
Available: 52 mg
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mg
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Compound characteristics

Compound ID: 8012-9084
Compound Name: 2-({7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
Molecular Weight: 553.95
Molecular Formula: C23 H19 Cl F3 N5 O4 S
Smiles: CN1C(c2c(nc(n2Cc2cccc(c2)[Cl])SCC(Nc2ccc(cc2)OC(F)(F)F)=O)N(C)C1=O)=O
Stereo: ACHIRAL
logP: 5.7079
logD: 5.7079
logSw: -5.8855
Hydrogen bond acceptors count: 9
Hydrogen bond donors count: 1
Polar surface area: 72.101
InChI Key: QPRXEBRLQOLKKX-UHFFFAOYSA-N
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