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10116-20-8 | N-(6-Oxo-6H-anthra[9,1-cd]isothiazol-7-yl)benzamide
CAS No: 10116-20-8 Catalog No: AG009R93 MDL No:
Product Description
Catalog Number:
AG009R93
Chemical Name:
N-(6-Oxo-6H-anthra[9,1-cd]isothiazol-7-yl)benzamide
CAS Number:
10116-20-8
IUPAC Name:
N-(8-oxo-14-thia-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-6-yl)benzamide
InChI:
InChI=1S/C21H12N2O2S/c24-20-14-9-5-11-16-18(14)19(23-26-16)13-8-4-10-15(17(13)20)22-21(25)12-6-2-1-3-7-12/h1-11H,(H,22,25)
InChI Key:
LKJGCECFTMYNBD-UHFFFAOYSA-N
Properties
Complexity:
576
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.062g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
356.399g/mol
Monoisotopic Mass:
356.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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