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Home > Other Heterocycles > 86762-17-6
86762-17-6 | 1-(2,5,7-triacetyl-2,5,7,10-tetrazabicyclo[4.4.0]dec-10-yl)ethanone
CAS No: 86762-17-6 Catalog No: AG004K6R MDL No:
Product Description
Catalog Number:
AG004K6R
Chemical Name:
1-(2,5,7-triacetyl-2,5,7,10-tetrazabicyclo[4.4.0]dec-10-yl)ethanone
CAS Number:
86762-17-6
Molecular Formula:
C14H22N4O4
Molecular Weight:
310.3489
IUPAC Name:
1-(1,4,5-triacetyl-2,3,4a,6,7,8a-hexahydropyrazino[2,3-b]pyrazin-8-yl)ethanone
InChI:
InChI=1S/C14H22N4O4/c1-9(19)15-5-6-17(11(3)21)14-13(15)16(10(2)20)7-8-18(14)12(4)22/h13-14H,5-8H2,1-4H3
InChI Key:
GDUMAUCMIKIQAM-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCN(C2C1N(CCN2C(=O)C)C(=O)C)C(=O)C
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.164g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.354g/mol
Monoisotopic Mass:
310.164g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
81.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
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