2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(3-nitrophenyl)acetamide

Chemical Structure Depiction of
2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(3-nitrophenyl)acetamide
Available: 137 mg
Amount:
mg
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Compound characteristics

Compound ID: G856-6692
Compound Name: 2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(3-nitrophenyl)acetamide
Molecular Weight: 360.35
Molecular Formula: C14 H12 N6 O4 S
Smiles: CC1=CC(Nc2nnc(n12)SCC(Nc1cccc(c1)[N+]([O-])=O)=O)=O
Stereo: ACHIRAL
logP: 1.3385
logD: 1.3224
logSw: -2.5532
Hydrogen bond acceptors count: 11
Hydrogen bond donors count: 2
Polar surface area: 108.228
InChI Key: YDMIGIJOHWNBEI-UHFFFAOYSA-N
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