5-methyl-9-(3-methylbutyl)-3-[4-(phenoxymethyl)phenyl]-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione

Chemical Structure Depiction of
5-methyl-9-(3-methylbutyl)-3-[4-(phenoxymethyl)phenyl]-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Available: 85 mg
Amount:
mg
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Compound characteristics

Compound ID: F722-0116
Compound Name: 5-methyl-9-(3-methylbutyl)-3-[4-(phenoxymethyl)phenyl]-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Molecular Weight: 458.52
Molecular Formula: C25 H26 N6 O3
Smiles: CC(C)CCN1C2=C(N(C)C(NC2=O)=O)n2c(c3ccc(COc4ccccc4)cc3)nnc12
Stereo: ACHIRAL
logP: 4.5674
logD: 4.5632
logSw: -4.3416
Hydrogen bond acceptors count: 7
Hydrogen bond donors count: 1
Polar surface area: 73.885
InChI Key: YXUGQVNLWVDDLI-UHFFFAOYSA-N
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