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128564-60-3 | 1H-Pyrazolo[3,4-b]pyrazine-1-ethanol, 5,6-bis(4-methoxyphenyl)-
CAS No: 128564-60-3 Catalog No: AG000Y6L MDL No:
Product Description
Catalog Number:
AG000Y6L
Chemical Name:
1H-Pyrazolo[3,4-b]pyrazine-1-ethanol, 5,6-bis(4-methoxyphenyl)-
CAS Number:
128564-60-3
Molecular Formula:
C21H20N4O3
Molecular Weight:
376.4085
IUPAC Name:
2-[5,6-bis(4-methoxyphenyl)pyrazolo[3,4-b]pyrazin-1-yl]ethanol
InChI:
InChI=1S/C21H20N4O3/c1-27-16-7-3-14(4-8-16)19-20(15-5-9-17(28-2)10-6-15)24-21-18(23-19)13-22-25(21)11-12-26/h3-10,13,26H,11-12H2,1-2H3
InChI Key:
IFAZVRFZQLVQKB-UHFFFAOYSA-N
SMILES:
OCCn1ncc2c1nc(c1ccc(cc1)OC)c(n2)c1ccc(cc1)OC
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.154g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
376.416g/mol
Monoisotopic Mass:
376.154g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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