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338409-95-3

338409-95-3 structural image
Product Name: 5-((1-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-1H-ISOINDOL-3-YL)METHYLENE)-1,3-DIMETHYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE
Formula: C21H14ClF3N4O3
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COMPUTED DESCRIPTORS

Molecular Weight 462.8 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 2
Exact Mass 462.0706525 g/mol
Monoisotopic Mass 462.0706525 g/mol
Topological Polar Surface Area 82.9 Ų
Heavy Atom Count 32
Formal Charge 0
Complexity 864
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes