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862244-58-4

862244-58-4 structural image
Product Name: methyl 4-[6-amino-5-cyano-3-(4-ethoxy-3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate
Formula: C24H22N4O5
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COMPUTED DESCRIPTORS

Molecular Weight 446.5 g/mol
XLogP3 3.7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 7
Exact Mass 446.15901982 g/mol
Monoisotopic Mass 446.15901982 g/mol
Topological Polar Surface Area 133 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 787
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