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126940-54-3

126940-54-3 structural image
Product Name: N-(1,3-DIMETHYL-2,4,7-TRIOXO-1,3,4,7-TETRAHYDRO-2H-PYRANO[2,3-D]PYRIMIDIN-6-YL)BENZENECARBOXAMIDE
Formula: C16H13N3O5
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COMPUTED DESCRIPTORS

Molecular Weight 327.29 g/mol
XLogP3 0.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 327.08552052 g/mol
Monoisotopic Mass 327.08552052 g/mol
Topological Polar Surface Area 96 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 688
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