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796876-55-6

796876-55-6 structural image
Product Name: ethyl (E)-2-cyano-3-(4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)prop-2-enoate
Formula: C18H18N4O3
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COMPUTED DESCRIPTORS

Molecular Weight 338.4 g/mol
XLogP3 1.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 5
Exact Mass 338.13789045 g/mol
Monoisotopic Mass 338.13789045 g/mol
Topological Polar Surface Area 86 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 801
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