N-[4-(4-fluorophenyl)-5-formyl-6-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)pyrimidin-2-yl]-N-methylmethanesulfonamide


Chemical Name: N-[4-(4-fluorophenyl)-5-formyl-6-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)pyrimidin-2-yl]-N-methylmethanesulfonamide
CAS Number: 147118-37-4
Product Number: AG001EN1(AGN-PC-0BSKDB)
Synonyms:
MDL No: MFCD08458342
Molecular Formula: C16H18FN3O3S
Molecular Weight: 351.3958

Identification/Properties


Properties
MP:
178.0 to 182.0 °C
BP:
536.594°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
351.396g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
5
Exact Mass:
351.105g/mol
Monoisotopic Mass:
351.105g/mol
Topological Polar Surface Area:
88.6A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
529
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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