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477867-68-8

477867-68-8 structural image
Product Name: N-[1-(TERT-BUTYL)-3-(4-METHYLPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YL]-4-CHLOROBENZENESULFONAMIDE
Formula: C22H22ClN5O2S
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COMPUTED DESCRIPTORS

Molecular Weight 456.0 g/mol
XLogP3 4.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 5
Exact Mass 455.1182738 g/mol
Monoisotopic Mass 455.1182738 g/mol
Topological Polar Surface Area 98.2 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 708
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