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338749-68-1

338749-68-1 structural image
Product Name: 5-ACETYL-2-(([3-(4-METHOXYPHENYL)-5-ISOXAZOLYL]METHYL)AMINO)-6-METHYLNICOTINONITRILE
Formula: C20H18N4O3
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COMPUTED DESCRIPTORS

Molecular Weight 362.4 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 6
Exact Mass 362.13789045 g/mol
Monoisotopic Mass 362.13789045 g/mol
Topological Polar Surface Area 101 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 555
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