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936563-92-7

936563-92-7 structural image
Product Name: 2-Propen-1-one, 1-[4-[4-aMino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyriMidin-1-yl]-1-piperidinyl]-
Formula: C25H24N6O2
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COMPUTED DESCRIPTORS

Molecular Weight 440.5 g/mol
XLogP3 3.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 5
Exact Mass 440.19607403 g/mol
Monoisotopic Mass 440.19607403 g/mol
Topological Polar Surface Area 99.2 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 670
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