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87595-07-1 | 1H-Pyrazolo[3,4-b]pyrazine, 5-(2-methoxyphenoxy)-1-phenyl-
CAS No: 87595-07-1 Catalog No: AG004PW7 MDL No:
Product Description
Catalog Number:
AG004PW7
Chemical Name:
1H-Pyrazolo[3,4-b]pyrazine, 5-(2-methoxyphenoxy)-1-phenyl-
CAS Number:
87595-07-1
Molecular Formula:
C18H14N4O2
Molecular Weight:
318.3294
IUPAC Name:
5-(2-methoxyphenoxy)-1-phenylpyrazolo[3,4-b]pyrazine
InChI:
InChI=1S/C18H14N4O2/c1-23-15-9-5-6-10-16(15)24-17-12-19-18-14(21-17)11-20-22(18)13-7-3-2-4-8-13/h2-12H,1H3
InChI Key:
ZSSGQVFWXOYYFV-UHFFFAOYSA-N
SMILES:
COc1ccccc1Oc1cnc2c(n1)cnn2c1ccccc1
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.112g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.336g/mol
Monoisotopic Mass:
318.112g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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