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Home > Other Heterocycles > 89863-10-5
89863-10-5 | 6,14,17,22,25-Pentaoxa-1,3,9,11-tetraazabicyclo[9.8.8]heptacosane-2,10-dithione
CAS No: 89863-10-5 Catalog No: AG003XBV MDL No:
Product Description
Catalog Number:
AG003XBV
Chemical Name:
6,14,17,22,25-Pentaoxa-1,3,9,11-tetraazabicyclo[9.8.8]heptacosane-2,10-dithione
CAS Number:
89863-10-5
Molecular Formula:
C18H34N4O5S2
Molecular Weight:
450.6164
IUPAC Name:
6,14,17,22,25-pentaoxa-1,3,9,11-tetrazabicyclo[9.8.8]heptacosane-2,10-dithione
InChI:
InChI=1S/C18H34N4O5S2/c28-17-19-1-7-23-8-2-20-18(29)22-5-11-26-15-13-24-9-3-21(17)4-10-25-14-16-27-12-6-22/h1-16H2,(H,19,28)(H,20,29)
InChI Key:
FELMAMQESKTIJE-UHFFFAOYSA-N
SMILES:
S=C1NCCOCCNC(=S)N2CCOCCOCCN1CCOCCOCC2
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
450.197g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
450.613g/mol
Monoisotopic Mass:
450.197g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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