1-(4-fluorophenyl)-4-[4-(4,5,6,7-tetradeuterio-2-sulfanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]butan-1-one


Chemical Name: 1-(4-fluorophenyl)-4-[4-(4,5,6,7-tetradeuterio-2-sulfanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]butan-1-one
CAS Number: 57648-21-2
Product Number: AG00EEYC(AGN-PC-09QFHW)
Synonyms:
MDL No: MFCD00868191
Molecular Formula: C22H24FN3OS
Molecular Weight: 397.5088632

Identification/Properties


Properties
MP:
>190ºC (dec.)
Storage:
2-8℃;
Computed Properties
Molecular Weight:
397.512g/mol
XLogP3:
4.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
6
Exact Mass:
397.162g/mol
Monoisotopic Mass:
397.162g/mol
Topological Polar Surface Area:
67.7A^2
Heavy Atom Count:
28
Formal Charge:
0
Complexity:
558
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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