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586393-79-5

586393-79-5 structural image
Product Name: 3,5-DIBROMO-2-[[[[3-(PHENOXYMETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula: C22H16Br2N2O4S
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COMPUTED DESCRIPTORS

Molecular Weight 564.2 g/mol
XLogP3 5.9
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 6
Exact Mass 563.91770 g/mol
Monoisotopic Mass 561.91975 g/mol
Topological Polar Surface Area 120 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 647
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