N-(4-cyanophenyl)-2-[4-[2,6-dioxo-1,3-bis(2,2,3,3,3-pentatritiopropyl)-7H-purin-8-yl]phenoxy]acetamide


Chemical Name: N-(4-cyanophenyl)-2-[4-[2,6-dioxo-1,3-bis(2,2,3,3,3-pentatritiopropyl)-7H-purin-8-yl]phenoxy]acetamide
CAS Number: 264622-58-4
Product Number: AG002TC4(AGN-PC-09QK81)
Synonyms:
MDL No: MFCD09971130
Molecular Formula: C26H26N6O4
Molecular Weight: 486.5224

Identification/Properties


Properties
Form:
Solid
Computed Properties
Molecular Weight:
486.532g/mol
XLogP3:
4.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
9
Exact Mass:
486.202g/mol
Monoisotopic Mass:
486.202g/mol
Topological Polar Surface Area:
131A^2
Heavy Atom Count:
36
Formal Charge:
0
Complexity:
843
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

Safety Information


NMR Spectrum


Other Analytical Data


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