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31188-91-7

31188-91-7 structural image
Product Name: 3-(2-(2,4-Di-tert-pentylphenoxy)acetamido)-N-(5-oxo-1-(2,4,6-trichlorophenyl)-2-pyrazolin-3-yl)benzamide
Formula: C34H37Cl3N4O4
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COMPUTED DESCRIPTORS

Molecular Weight 672.0 g/mol
XLogP3 9.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 11
Exact Mass 670.188039 g/mol
Monoisotopic Mass 670.188039 g/mol
Topological Polar Surface Area 100 Ų
Heavy Atom Count 45
Formal Charge 0
Complexity 1090
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