6-N-[(4-nitrophenyl)methyl]-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine


Chemical Name: 6-N-[(4-nitrophenyl)methyl]-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine
CAS Number: 519178-28-0
Product Number: AG01ENOT(AGN-PC-015JSS)
Synonyms:
MDL No: MFCD16875436
Molecular Formula: C20H16F3N7O2
Molecular Weight: 443.3819

Identification/Properties


Computed Properties
Molecular Weight:
443.39g/mol
XLogP3:
4.4
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
10
Rotatable Bond Count:
6
Exact Mass:
443.132g/mol
Monoisotopic Mass:
443.132g/mol
Topological Polar Surface Area:
124A^2
Heavy Atom Count:
32
Formal Charge:
0
Complexity:
627
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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