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Home > Other Heterocycles > 118090-03-2
118090-03-2 | 1,4,6,9,12,14,19,21-Octaazabicyclo[7.7.7]tricosane-5,13,20-trione
CAS No: 118090-03-2 Catalog No: AG007725 MDL No:
Product Description
Catalog Number:
AG007725
Chemical Name:
1,4,6,9,12,14,19,21-Octaazabicyclo[7.7.7]tricosane-5,13,20-trione
CAS Number:
118090-03-2
Molecular Formula:
C15H30N8O3
Molecular Weight:
370.4505
IUPAC Name:
1,4,6,9,12,14,19,21-octazabicyclo[7.7.7]tricosane-5,13,20-trione
InChI:
InChI=1S/C15H30N8O3/c24-13-16-1-7-22-8-2-18-14(25)20-5-11-23(10-4-17-13)12-6-21-15(26)19-3-9-22/h1-12H2,(H2,16,17,24)(H2,18,20,25)(H2,19,21,26)
InChI Key:
WEVWYSMEMRSUHI-UHFFFAOYSA-N
SMILES:
O=C1NCCN2CCNC(=O)NCCN(CCN1)CCNC(=O)NCC2
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.244g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
370.458g/mol
Monoisotopic Mass:
370.244g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.7
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