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904575-98-0

904575-98-0 structural image
Product Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(phenylsulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
Formula: C23H17N5O4S
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COMPUTED DESCRIPTORS

Molecular Weight 459.5 g/mol
XLogP3 3.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 4
Exact Mass 459.10012521 g/mol
Monoisotopic Mass 459.10012521 g/mol
Topological Polar Surface Area 116 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 788
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