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Home > Other Heterocycles > 913176-47-3
913176-47-3 | 4,7,13,16-Tetraoxa-1,10,21-triazabicyclo[8.8.5]tricosane-19,23-dione
CAS No: 913176-47-3 Catalog No: AG006CIR MDL No:
Product Description
Catalog Number:
AG006CIR
Chemical Name:
4,7,13,16-Tetraoxa-1,10,21-triazabicyclo[8.8.5]tricosane-19,23-dione
CAS Number:
913176-47-3
Molecular Formula:
C16H29N3O6
Molecular Weight:
359.4180
IUPAC Name:
4,7,13,16-tetraoxa-1,10,21-triazabicyclo[8.8.5]tricosane-19,23-dione
InChI:
InChI=1S/C16H29N3O6/c20-15-13-17-14-16(21)19-3-7-24-10-9-22-5-1-18(15)2-6-23-11-12-25-8-4-19/h17H,1-14H2
InChI Key:
WUCFSAHSSACPPX-UHFFFAOYSA-N
SMILES:
O=C1CNCC(=O)N2CCOCCOCCN1CCOCCOCC2
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.206g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
359.423g/mol
Monoisotopic Mass:
359.206g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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