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834881-07-1 | Imidazo[1,2-a]pyrazin-3(7H)-one, 6,6'-(1,4-phenylene)bis[2-phenyl-
CAS No: 834881-07-1 Catalog No: AG004V92 MDL No:
Product Description
Catalog Number:
AG004V92
Chemical Name:
Imidazo[1,2-a]pyrazin-3(7H)-one, 6,6'-(1,4-phenylene)bis[2-phenyl-
CAS Number:
834881-07-1
Molecular Formula:
C30H20N6O2
Molecular Weight:
496.5188
IUPAC Name:
6-[4-(3-oxo-2-phenyl-7H-imidazo[1,2-a]pyrazin-6-yl)phenyl]-2-phenyl-7H-imidazo[1,2-a]pyrazin-3-one
InChI:
InChI=1S/C30H20N6O2/c37-29-27(21-7-3-1-4-8-21)33-25-15-31-23(17-35(25)29)19-11-13-20(14-12-19)24-18-36-26(16-32-24)34-28(30(36)38)22-9-5-2-6-10-22/h1-18,31-32H
InChI Key:
ZYONMUGQBSBKGS-UHFFFAOYSA-N
SMILES:
O=c1c(nc2n1cc([nH]c2)c1ccc(cc1)c1[nH]cc2n(c1)c(=O)c(n2)c1ccccc1)c1ccccc1
Properties
Complexity:
1110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
496.165g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
496.53g/mol
Monoisotopic Mass:
496.165g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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