N-METHYL-1-((1R,4R)-4-(METHYL(7H-PYRROLO[2,3-D]PYR (Oclacitinib)


Chemical Name: N-METHYL-1-((1R,4R)-4-(METHYL(7H-PYRROLO[2,3-D]PYR (Oclacitinib)
CAS Number: 1208319-26-9
Product Number: AG008TIO(AGN-PC-0WAG5F)
Synonyms:
MDL No:
Molecular Formula: C15H23N5O2S
Molecular Weight: 337.4404

Identification/Properties


Computed Properties
Molecular Weight:
337.442g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
5
Exact Mass:
337.157g/mol
Monoisotopic Mass:
337.157g/mol
Topological Polar Surface Area:
99.4A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
487
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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