BAY 87-2243


Chemical Name: BAY 87-2243
CAS Number: 1227158-85-1
Product Number: AG009C99(AGN-PC-0WAKM5)
Synonyms:
MDL No:
Molecular Formula: C26H26F3N7O2
Molecular Weight: 525.5255

Identification/Properties


Computed Properties
Molecular Weight:
525.536g/mol
XLogP3:
4.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
11
Rotatable Bond Count:
7
Exact Mass:
525.21g/mol
Monoisotopic Mass:
525.21g/mol
Topological Polar Surface Area:
85.3A^2
Heavy Atom Count:
38
Formal Charge:
0
Complexity:
774
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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