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1654820-87-7

1654820-87-7 structural image
Product Name: Dihydrodiol Ibrutinib
Formula: C25H26N6O4
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COMPUTED DESCRIPTORS

Molecular Weight 474.5 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 6
Exact Mass 474.20155333 g/mol
Monoisotopic Mass 474.20155333 g/mol
Topological Polar Surface Area 140 Ų
Heavy Atom Count 35
Formal Charge 0
Complexity 701
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes