3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanenitrile


Chemical Name: 3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanenitrile
CAS Number: 863598-09-8
Product Number: AG004LZ9(AGN-PC-009EVL)
Synonyms:
MDL No:
Molecular Formula: C24H23N5O3
Molecular Weight: 429.4711

Identification/Properties


Computed Properties
Molecular Weight:
429.48g/mol
XLogP3:
4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
8
Exact Mass:
429.18g/mol
Monoisotopic Mass:
429.18g/mol
Topological Polar Surface Area:
94.2A^2
Heavy Atom Count:
32
Formal Charge:
0
Complexity:
628
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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