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117860-34-1

117860-34-1 structural image
Product Name: 6-(dimethylamino)-9-(4-methylbenzyl)-2-(trifluoromethyl)-9H-purine
Formula: C16H16F3N5
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COMPUTED DESCRIPTORS

Molecular Weight 335.33 g/mol
XLogP3 3.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 3
Exact Mass 335.13578002 g/mol
Monoisotopic Mass 335.13578002 g/mol
Topological Polar Surface Area 46.8 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 422
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