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Home > Other Heterocycles > 28843-77-8
28843-77-8 | 4,7,13,16-Tetraoxa-21,24-dithia-1,10-diazabicyclo[8.8.8]hexacosane (8CI,9CI)
CAS No: 28843-77-8 Catalog No: AG002WSU MDL No:
Product Description
Catalog Number:
AG002WSU
Chemical Name:
4,7,13,16-Tetraoxa-21,24-dithia-1,10-diazabicyclo[8.8.8]hexacosane (8CI,9CI)
CAS Number:
28843-77-8
Molecular Formula:
C18H36N2O4S2
Molecular Weight:
408.6194
IUPAC Name:
4,7,13,16-tetraoxa-21,24-dithia-1,10-diazabicyclo[8.8.8]hexacosane
InChI:
InChI=1S/C18H36N2O4S2/c1-7-21-11-12-23-9-3-20-4-10-24-14-13-22-8-2-19(1)5-15-25-17-18-26-16-6-20/h1-18H2
InChI Key:
IVFXGYQXXSMOIH-UHFFFAOYSA-N
SMILES:
C1COCCN2CCOCCOCCN(CCO1)CCSCCSCC2
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.212g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
408.616g/mol
Monoisotopic Mass:
408.212g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
94A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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