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14483-72-8 | 6H,13H-Pyrazino[1,2-a:4,5-a']bisbenzimidazole-6,13-dione
CAS No: 14483-72-8 Catalog No: AG001K7Y MDL No:
Product Description
Catalog Number:
AG001K7Y
Chemical Name:
6H,13H-Pyrazino[1,2-a:4,5-a']bisbenzimidazole-6,13-dione
CAS Number:
14483-72-8
Molecular Formula:
C16H8N4O2
Molecular Weight:
288.2603
IUPAC Name:
3,10,13,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(20),4,6,8,10,14,16,18-octaene-2,12-dione
InChI:
InChI=1S/C16H8N4O2/c21-15-13-17-9-5-1-3-7-11(9)19(13)16(22)14-18-10-6-2-4-8-12(10)20(14)15/h1-8H
InChI Key:
JENBHZAXIYXEHW-UHFFFAOYSA-N
SMILES:
O=c1c2nc3c(n2c(=O)c2n1c1ccccc1n2)cccc3
NSC Number:
70345
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.065g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.266g/mol
Monoisotopic Mass:
288.065g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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