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1882095-51-3

1882095-51-3 structural image
Product Name: Ticagrelor iMpurity
Formula: C27H45N5O8S
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COMPUTED DESCRIPTORS

Molecular Weight 599.7 g/mol
XLogP3 1.4
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 14
Rotatable Bond Count 13
Exact Mass 599.29888458 g/mol
Monoisotopic Mass 599.29888458 g/mol
Topological Polar Surface Area 197 Ų
Heavy Atom Count 41
Formal Charge 0
Complexity 799
Isotope Atom Count 0
Defined Atom Stereocenter Count 8
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes