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108139-78-2

108139-78-2 structural image
Product Name: methyl 2,4-bis{2-nitrophenyl}-6-methyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
Formula: C19H18N4O6
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COMPUTED DESCRIPTORS

Molecular Weight 398.4 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 4
Exact Mass 398.12263431 g/mol
Monoisotopic Mass 398.12263431 g/mol
Topological Polar Surface Area 142 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 685
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes