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1421227-97-5

1421227-97-5 structural image
Product Name: Etoricoxib Impurity 8
Formula: C22H20N2O4S
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COMPUTED DESCRIPTORS

Molecular Weight 408.5 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 7
Exact Mass 408.11437830 g/mol
Monoisotopic Mass 408.11437830 g/mol
Topological Polar Surface Area 102 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 679
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