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578732-46-4

578732-46-4 structural image
Product Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N-[(E)-(4-fluorophenyl)methylideneamino]triazole-4-carboxamide
Formula: C15H16FN9O2
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COMPUTED DESCRIPTORS

Molecular Weight 373.35 g/mol
XLogP3 0.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 6
Exact Mass 373.14109895 g/mol
Monoisotopic Mass 373.14109895 g/mol
Topological Polar Surface Area 140 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 529
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes