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104874-86-4

104874-86-4 structural image
Product Name: Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-[(2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl]-, (S)-
Formula: C23H25N5O5
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COMPUTED DESCRIPTORS

Molecular Weight 451.5 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 4
Exact Mass 451.18556891 g/mol
Monoisotopic Mass 451.18556891 g/mol
Topological Polar Surface Area 112 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 678
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes