3-[(3-chlorophenoxy)methyl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine


Chemical Name: 3-[(3-chlorophenoxy)methyl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CAS Number: 1188296-52-7
Product Number: AG008ZG4(AGN-PC-09SYR5)
Synonyms:
MDL No: MFCD20926348
Molecular Formula: C17H18ClN5O2
Molecular Weight: 359.8101

Identification/Properties


Computed Properties
Molecular Weight:
359.814g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
359.115g/mol
Monoisotopic Mass:
359.115g/mol
Topological Polar Surface Area:
88.1A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
439
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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