Pentanamide,N-(1-cyanocyclopropyl)-4-fluoro-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)[1,1'-biphenyl]-4-yl]ethyl]amino]-, (2S)-


Chemical Name: Pentanamide,N-(1-cyanocyclopropyl)-4-fluoro-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)[1,1'-biphenyl]-4-yl]ethyl]amino]-, (2S)-
CAS Number: 603139-19-1
Product Number: AG0039T3(AGN-PC-0SVOB7)
Synonyms:
MDL No:
Molecular Formula: C25H27F4N3O3S
Molecular Weight: 525.5588

Identification/Properties


Computed Properties
Molecular Weight:
525.563g/mol
XLogP3:
4.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
9
Exact Mass:
525.171g/mol
Monoisotopic Mass:
525.171g/mol
Topological Polar Surface Area:
107A^2
Heavy Atom Count:
36
Formal Charge:
0
Complexity:
934
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
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


Other Analytical Data


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