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50988-02-8 | N-(6-oxo-6H-anthra[9,1-cd]isothiazol-7-yl)propionamide
CAS No: 50988-02-8 Catalog No: AG00E1QO MDL No:
Product Description
Catalog Number:
AG00E1QO
Chemical Name:
N-(6-oxo-6H-anthra[9,1-cd]isothiazol-7-yl)propionamide
CAS Number:
50988-02-8
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)propanamide
InChI:
InChI=1S/C17H12N2O2S/c1-2-13(20)18-11-7-3-5-9-14(11)17(21)10-6-4-8-12-15(10)16(9)19-22-12/h3-8H,2H2,1H3,(H,18,20)
InChI Key:
AMXYNQQEZKMKJU-UHFFFAOYSA-N
EC Number:
256-897-6
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.062g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.355g/mol
Monoisotopic Mass:
308.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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