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477873-09-9

477873-09-9 structural image
Product Name: 2-(3-CHLOROPHENYL)-4-(4-METHOXYPHENYL)-6-(4-METHYLPIPERAZINO)-5-PYRIMIDINECARBONITRILE
Formula: C23H22ClN5O
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COMPUTED DESCRIPTORS

Molecular Weight 419.9 g/mol
XLogP3 4.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 419.1512880 g/mol
Monoisotopic Mass 419.1512880 g/mol
Topological Polar Surface Area 65.3 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 596
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