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1839099-22-7

1839099-22-7 structural image
Product Name: (R)-1-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)propan-1-one
Formula: C25H26N6O2
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COMPUTED DESCRIPTORS

Molecular Weight 442.5 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 5
Exact Mass 442.21172409 g/mol
Monoisotopic Mass 442.21172409 g/mol
Topological Polar Surface Area 99.2 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 651
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes