200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 87412-76-8
87412-76-8 | 1H-Pyrazolo[3,4-d]pyrimidine, 4-(4-methoxyphenyl)-1-phenyl-
CAS No: 87412-76-8 Catalog No: AG004GEM MDL No:
Product Description
Catalog Number:
AG004GEM
Chemical Name:
1H-Pyrazolo[3,4-d]pyrimidine, 4-(4-methoxyphenyl)-1-phenyl-
CAS Number:
87412-76-8
Molecular Formula:
C18H14N4O
Molecular Weight:
302.3300
IUPAC Name:
4-(4-methoxyphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine
InChI:
InChI=1S/C18H14N4O/c1-23-15-9-7-13(8-10-15)17-16-11-21-22(18(16)20-12-19-17)14-5-3-2-4-6-14/h2-12H,1H3
InChI Key:
PHXICFUYPLLVOL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1ncnc2c1cnn2c1ccccc1
Properties
Complexity:
379
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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.