3-{[6-(azepane-1-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]methyl}benzonitrile

Chemical Structure Depiction of
3-{[6-(azepane-1-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]methyl}benzonitrile
Available: 157 mg
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mg
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Compound characteristics

Compound ID: P047-0332
Compound Name: 3-{[6-(azepane-1-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]methyl}benzonitrile
Molecular Weight: 411.48
Molecular Formula: C20 H21 N5 O3 S
Smiles: C1CCCN(CC1)S(C1C=CC2=NN(Cc3cccc(C#N)c3)C(N2C=1)=O)(=O)=O
Stereo: ACHIRAL
logP: 2.2854
logD: 2.2854
logSw: -2.675
Hydrogen bond acceptors count: 9
Polar surface area: 81.898
InChI Key: WHLAMPCNHHAOKO-UHFFFAOYSA-N
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