3-{[1,3-dimethyl-2,6-dioxo-9-(2-phenylethyl)-2,3,6,9-tetrahydro-1H-purin-8-yl]sulfanyl}-N-(4-fluoro-2-methylphenyl)propanamide

Chemical Structure Depiction of
3-{[1,3-dimethyl-2,6-dioxo-9-(2-phenylethyl)-2,3,6,9-tetrahydro-1H-purin-8-yl]sulfanyl}-N-(4-fluoro-2-methylphenyl)propanamide
Available: 30 mg
Amount:
mg
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Compound characteristics

Compound ID: M107-0436
Compound Name: 3-{[1,3-dimethyl-2,6-dioxo-9-(2-phenylethyl)-2,3,6,9-tetrahydro-1H-purin-8-yl]sulfanyl}-N-(4-fluoro-2-methylphenyl)propanamide
Molecular Weight: 495.58
Molecular Formula: C25 H26 F N5 O3 S
Smiles: Cc1cc(ccc1NC(CCSc1nc2C(N(C)C(N(C)c2n1CCc1ccccc1)=O)=O)=O)F
Stereo: ACHIRAL
logP: 4.1292
logD: 4.1288
logSw: -4.1837
Hydrogen bond acceptors count: 8
Hydrogen bond donors count: 1
Polar surface area: 65.388
InChI Key: JIRJYCYLFKCTPM-UHFFFAOYSA-N
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