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144097-92-7 | 9,10-Anthracenedione, 1,4-diamino-2-(5-hexyl-1,3,4-oxadiazol-2-yl)-
CAS No: 144097-92-7 Catalog No: AG001IX2 MDL No:
Product Description
Catalog Number:
AG001IX2
Chemical Name:
9,10-Anthracenedione, 1,4-diamino-2-(5-hexyl-1,3,4-oxadiazol-2-yl)-
CAS Number:
144097-92-7
Molecular Formula:
C22H22N4O3
Molecular Weight:
390.4351
IUPAC Name:
1,4-diamino-2-(5-hexyl-1,3,4-oxadiazol-2-yl)anthracene-9,10-dione
InChI:
InChI=1S/C22H22N4O3/c1-2-3-4-5-10-16-25-26-22(29-16)14-11-15(23)17-18(19(14)24)21(28)13-9-7-6-8-12(13)20(17)27/h6-9,11H,2-5,10,23-24H2,1H3
InChI Key:
CKUARVJGSVCDNT-UHFFFAOYSA-N
SMILES:
CCCCCCc1nnc(o1)c1cc(N)c2c(c1N)C(=O)c1c(C2=O)cccc1
Properties
Complexity:
615
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.169g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
390.443g/mol
Monoisotopic Mass:
390.169g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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