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100694-10-8 | Ethanediamide, N1-(9,10-dihydro-9,10-dioxo-1-anthracenyl)-N2-pentyl-
CAS No: 100694-10-8 Catalog No: AG0002NG MDL No:
Product Description
Catalog Number:
AG0002NG
Chemical Name:
Ethanediamide, N1-(9,10-dihydro-9,10-dioxo-1-anthracenyl)-N2-pentyl-
CAS Number:
100694-10-8
Molecular Formula:
C21H20N2O4
Molecular Weight:
364.3945
IUPAC Name:
N'-(9,10-dioxoanthracen-2-yl)-N'-pentyloxamide
InChI:
InChI=1S/C21H20N2O4/c1-2-3-6-11-23(21(27)20(22)26)13-9-10-16-17(12-13)19(25)15-8-5-4-7-14(15)18(16)24/h4-5,7-10,12H,2-3,6,11H2,1H3,(H2,22,26)
InChI Key:
VUBYYNJFTJAXFJ-UHFFFAOYSA-N
SMILES:
CCCCCNC(=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O
Properties
Complexity:
617
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.142g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
364.401g/mol
Monoisotopic Mass:
364.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
97.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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