(4-butoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)-(2,6-difluoro-4-methylphenyl)methanone


Chemical Name: (4-butoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)-(2,6-difluoro-4-methylphenyl)methanone
CAS Number: 582315-72-8
Product Number: AG00ECCX(AGN-PC-0LQ48G)
Synonyms:
MDL No:
Molecular Formula: C18H17F2N3O2
Molecular Weight: 345.3433

Identification/Properties


Computed Properties
Molecular Weight:
345.35g/mol
XLogP3:
3.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
6
Exact Mass:
345.129g/mol
Monoisotopic Mass:
345.129g/mol
Topological Polar Surface Area:
67.9A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
456
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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