methyl 2-{[3-(2-chlorophenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate

Chemical Structure Depiction of
methyl 2-{[3-(2-chlorophenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Available: 1 mg
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mg
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Compound characteristics

Compound ID: V016-7533
Compound Name: methyl 2-{[3-(2-chlorophenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Molecular Weight: 450.88
Molecular Formula: C23 H19 Cl N4 O4
Salt: not_available
Smiles: COC(c1ccccc1Cn1cnc2c1C(N(CC=C)C(N2c1ccccc1[Cl])=O)=O)=O
Stereo: ACHIRAL
logP: 3.3803
logD: 3.3803
logSw: -3.5629
Hydrogen bond acceptors count: 8
Polar surface area: 63.397
InChI Key: PJFIPLDRRQAAOX-UHFFFAOYSA-N
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