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Home > Other Heterocycles > 817578-26-0
817578-26-0 | 4,8,11,15,22-Pentaazabicyclo[16.3.1]docosa-1(22),18,20-triene-3,16-dione
CAS No: 817578-26-0 Catalog No: AG0050RM MDL No:
Product Description
Catalog Number:
AG0050RM
Chemical Name:
4,8,11,15,22-Pentaazabicyclo[16.3.1]docosa-1(22),18,20-triene-3,16-dione
CAS Number:
817578-26-0
Molecular Formula:
C17H27N5O2
Molecular Weight:
333.4286
IUPAC Name:
4,8,11,15,22-pentazabicyclo[16.3.1]docosa-1(22),18,20-triene-3,16-dione
InChI:
InChI=1S/C17H27N5O2/c23-16-12-14-4-1-5-15(22-14)13-17(24)21-9-3-7-19-11-10-18-6-2-8-20-16/h1,4-5,18-19H,2-3,6-13H2,(H,20,23)(H,21,24)
InChI Key:
RMJCXOHXIHNFNV-UHFFFAOYSA-N
SMILES:
O=C1NCCCNCCNCCCNC(=O)Cc2nc(C1)ccc2
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.216g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
333.436g/mol
Monoisotopic Mass:
333.216g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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