2-(3,5-difluoro-4-hydroxyanilino)-5,7-dimethyl-8-(3-methylbutyl)-7H-pteridin-6-one


Chemical Name: 2-(3,5-difluoro-4-hydroxyanilino)-5,7-dimethyl-8-(3-methylbutyl)-7H-pteridin-6-one
CAS Number: 501437-28-1
Product Number: AG00D80A(AGN-PC-04VYWO)
Synonyms:
MDL No:
Molecular Formula: C19H23F2N5O2
Molecular Weight: 391.4150

Identification/Properties


Computed Properties
Molecular Weight:
391.423g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
5
Exact Mass:
391.182g/mol
Monoisotopic Mass:
391.182g/mol
Topological Polar Surface Area:
81.6A^2
Heavy Atom Count:
28
Formal Charge:
0
Complexity:
542
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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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