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683798-99-4

683798-99-4 structural image
Product Name: 4-((5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2(1H)-ylidene)amino)-4-oxobutanoic acid
Formula: C21H17N5O3
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COMPUTED DESCRIPTORS

Molecular Weight 387.4 g/mol
XLogP3 2.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 6
Exact Mass 387.13313942 g/mol
Monoisotopic Mass 387.13313942 g/mol
Topological Polar Surface Area 110 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 577
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes