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842966-32-9

842966-32-9 structural image
Product Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-methylphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]triazole-4-carboxamide
Formula: C18H15N9O2
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COMPUTED DESCRIPTORS

Molecular Weight 389.4 g/mol
XLogP3 1.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 5
Exact Mass 389.13487076 g/mol
Monoisotopic Mass 389.13487076 g/mol
Topological Polar Surface Area 150 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 584
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