5-(2-methylphenyl)-6-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

Chemical Structure Depiction of
5-(2-methylphenyl)-6-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Available: 196 mg
Amount:
mg
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Compound characteristics

Compound ID: K829-0010
Compound Name: 5-(2-methylphenyl)-6-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Molecular Weight: 421.43
Molecular Formula: C20 H15 N5 O4 S
Smiles: Cc1ccccc1N1C(=Nc2c(cn[nH]2)C1=O)SCC(c1cccc(c1)[N+]([O-])=O)=O
Stereo: ACHIRAL
logP: 3.3419
logD: 3.3389
logSw: -3.7076
Hydrogen bond acceptors count: 11
Hydrogen bond donors count: 1
Polar surface area: 95.754
InChI Key: LYGDEMSWQTYXJW-UHFFFAOYSA-N
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