2-({1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)propanoic acid

Chemical Structure Depiction of
2-({1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)propanoic acid
Available: 35 mg
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mg
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Compound characteristics

Compound ID: 4004-0246
Compound Name: 2-({1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)propanoic acid
Molecular Weight: 388.44
Molecular Formula: C18 H20 N4 O4 S
Smiles: CC(C(O)=O)Sc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccccc1C
Stereo: RACEMIC MIXTURE
logP: 3.1843
logD: -0.0221
logSw: -3.0484
Hydrogen bond acceptors count: 9
Hydrogen bond donors count: 1
Polar surface area: 71.694
InChI Key: VZSDNBRARPSZFB-NSHDSACASA-N
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