benzenesulfonic acid;6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one


Chemical Name: benzenesulfonic acid;6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CAS Number: 841290-81-1
Product Number: AG00G3PP(AGN-PC-00J96O)
Synonyms:
MDL No: MFCD18385012
Molecular Formula: C28H29FN6O8S
Molecular Weight: 628.6287

Identification/Properties


Computed Properties
Molecular Weight:
628.632g/mol
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
14
Rotatable Bond Count:
8
Exact Mass:
628.175g/mol
Monoisotopic Mass:
628.175g/mol
Topological Polar Surface Area:
192A^2
Heavy Atom Count:
44
Formal Charge:
0
Complexity:
874
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:
2
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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