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383147-24-8

383147-24-8 structural image
Product Name: (E)-1-[3-(4-METHYLPHENYL)-2,1-BENZISOXAZOL-5-YL]-3-(3,4,5-TRIMETHOXYANILINO)-2-PROPEN-1-ONE
Formula: C26H24N2O5
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COMPUTED DESCRIPTORS

Molecular Weight 444.5 g/mol
XLogP3 5.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 8
Exact Mass 444.16852187 g/mol
Monoisotopic Mass 444.16852187 g/mol
Topological Polar Surface Area 82.8 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 651
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes