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777867-98-8

777867-98-8 structural image
Product Name: 2-(benzylamino)-8-methyl-4-phenyl-4,9-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
Formula: C20H19N5O
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >51.8 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 345.4 g/mol
XLogP3 2.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 345.15896025 g/mol
Monoisotopic Mass 345.15896025 g/mol
Topological Polar Surface Area 69.1 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 626
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