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796879-39-5

796879-39-5 structural image
Product Name: ethyl (E)-2-cyano-3-[2-(dibenzylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate
Formula: C28H24N4O3
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COMPUTED DESCRIPTORS

Molecular Weight 464.5 g/mol
XLogP3 4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 9
Exact Mass 464.18484064 g/mol
Monoisotopic Mass 464.18484064 g/mol
Topological Polar Surface Area 86 Ų
Heavy Atom Count 35
Formal Charge 0
Complexity 994
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes