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1324077-94-2

1324077-94-2 structural image
Product Name: N-benzyl-4-[6-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]butanamide
Formula: C21H23N7O
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COMPUTED DESCRIPTORS

Molecular Weight 389.5 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 7
Exact Mass 389.19640838 g/mol
Monoisotopic Mass 389.19640838 g/mol
Topological Polar Surface Area 90 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 541
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