[4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2,3-difluoro-6-methoxyphenyl)methanone


Chemical Name: [4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2,3-difluoro-6-methoxyphenyl)methanone
CAS Number: 741713-40-6
Product Number: AG00FC0X(AGN-PC-0LVF3A)
Synonyms:
MDL No: MFCD09970629
Molecular Formula: C18H21F2N5O4S
Molecular Weight: 441.4522

Identification/Properties


Computed Properties
Molecular Weight:
441.454g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
11
Rotatable Bond Count:
6
Exact Mass:
441.128g/mol
Monoisotopic Mass:
441.128g/mol
Topological Polar Surface Area:
136A^2
Heavy Atom Count:
30
Formal Charge:
0
Complexity:
701
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

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NMR Spectrum


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