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87412-75-7 | 1H-Pyrazolo[3,4-d]pyrimidine, 4-(2-methoxyphenyl)-1-phenyl-
CAS No: 87412-75-7 Catalog No: AG004JPG MDL No:
Product Description
Catalog Number:
AG004JPG
Chemical Name:
1H-Pyrazolo[3,4-d]pyrimidine, 4-(2-methoxyphenyl)-1-phenyl-
CAS Number:
87412-75-7
Molecular Formula:
C18H14N4O
Molecular Weight:
302.3300
IUPAC Name:
4-(2-methoxyphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine
InChI:
InChI=1S/C18H14N4O/c1-23-16-10-6-5-9-14(16)17-15-11-21-22(18(15)20-12-19-17)13-7-3-2-4-8-13/h2-12H,1H3
InChI Key:
YRHCDRZUILXMCT-UHFFFAOYSA-N
SMILES:
COc1ccccc1c1ncnc2c1cnn2c1ccccc1
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.117g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.337g/mol
Monoisotopic Mass:
302.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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