4H-Pyrazolo[3,4-d]pyrimidin-4-one,1,5,6,7-tetrahydro-1-phenyl-6-thioxo-


Chemical Name: 4H-Pyrazolo[3,4-d]pyrimidin-4-one,1,5,6,7-tetrahydro-1-phenyl-6-thioxo-
CAS Number: 156718-77-3
Product Number: AG00VRZD(AGN-PC-0Q75DG)
Synonyms:
MDL No: MFCD06356487
Molecular Formula: C11H8N4OS
Molecular Weight: 244.2724

Identification/Properties


Computed Properties
Molecular Weight:
244.272g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
244.042g/mol
Monoisotopic Mass:
244.042g/mol
Topological Polar Surface Area:
91A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
342
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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