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585553-45-3

585553-45-3 structural image
Product Name: N-(4-acetamidophenyl)-2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Formula: C18H17FN6O2S
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COMPUTED DESCRIPTORS

Molecular Weight 400.4 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 6
Exact Mass 400.11177314 g/mol
Monoisotopic Mass 400.11177314 g/mol
Topological Polar Surface Area 140 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 548
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