2-{[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-(2-phenylethyl)acetamide

Chemical Structure Depiction of
2-{[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-(2-phenylethyl)acetamide
Available: 53 mg
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mg
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Compound characteristics

Compound ID: 8012-9256
Compound Name: 2-{[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-(2-phenylethyl)acetamide
Molecular Weight: 413.5
Molecular Formula: C20 H23 N5 O3 S
Smiles: CN1C(c2c(nc(n2CC=C)SCC(NCCc2ccccc2)=O)N(C)C1=O)=O
Stereo: ACHIRAL
logP: 2.3649
logD: 2.3649
logSw: -2.7288
Hydrogen bond acceptors count: 8
Hydrogen bond donors count: 1
Polar surface area: 67.578
InChI Key: CHOFNWPXSHPQKD-UHFFFAOYSA-N
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