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84413-97-8

84413-97-8 structural image
Product Name: 5-Pyrimidinecarboxamide, 4-ethoxy-N-((1-ethyl-2-pyrrolidinyl)methyl)-2 -methyl-, fumarate (2:5), (R)-(+)-
Formula: 2C15H24N4O2.5C4H4O4
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COMPUTED DESCRIPTORS

Molecular Weight 1165.1 g/mol
Hydrogen Bond Donor Count 12
Hydrogen Bond Acceptor Count 30
Rotatable Bond Count 22
Exact Mass 1164.43464507 g/mol
Monoisotopic Mass 1164.43464507 g/mol
Topological Polar Surface Area 508 Ų
Heavy Atom Count 82
Formal Charge 0
Complexity 459
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 5
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 7
Compound Is Canonicalized Yes