Propanamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfinyl]-2-hydroxy-2-methyl-


Chemical Name: Propanamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfinyl]-2-hydroxy-2-methyl-
CAS Number: 945419-64-7
Product Number: AG01CC5M(AGN-PC-0684Q1)
Synonyms:
MDL No:
Molecular Formula: C18H14F4N2O3S
Molecular Weight: 414.3739728

Identification/Properties


Computed Properties
Molecular Weight:
414.375g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
5
Exact Mass:
414.066g/mol
Monoisotopic Mass:
414.066g/mol
Topological Polar Surface Area:
109A^2
Heavy Atom Count:
28
Formal Charge:
0
Complexity:
643
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
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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