N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-3-nitro-N-phenylbenzamide

Chemical Structure Depiction of
N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-3-nitro-N-phenylbenzamide
Available: 204 mg
Amount:
mg
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Compound characteristics

Compound ID: D433-0830
Compound Name: N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-3-nitro-N-phenylbenzamide
Molecular Weight: 404.38
Molecular Formula: C20 H16 N6 O4
Smiles: CC1=CC(n2c(N1)nc(CN(C(c1cccc(c1)[N+]([O-])=O)=O)c1ccccc1)n2)=O
Stereo: ACHIRAL
logP: 2.1409
logD: -0.5117
logSw: -3.0686
Hydrogen bond acceptors count: 10
Hydrogen bond donors count: 1
Polar surface area: 100.728
InChI Key: AYLQROYWSCKOMG-UHFFFAOYSA-N
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