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887406-79-3

887406-79-3 structural image
Product Name: N-[2-Methanethiosulfonylethyl]-7-methoxycoumarin-4-acetamide
Formula: C15H17NO6S2
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COMPUTED DESCRIPTORS

Molecular Weight 371.4 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 7
Exact Mass 371.04972961 g/mol
Monoisotopic Mass 371.04972961 g/mol
Topological Polar Surface Area 131 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 626
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes