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50988-01-7 | Acetamide,N-(6-oxo-6H-anthra[9,1-cd]isothiazol-7-yl)- (9CI)
CAS No: 50988-01-7 Catalog No: AG006V19 MDL No:
Product Description
Catalog Number:
AG006V19
Chemical Name:
Acetamide,N-(6-oxo-6H-anthra[9,1-cd]isothiazol-7-yl)- (9CI)
CAS Number:
50988-01-7
Molecular Formula:
C16H10N2O2S
Molecular Weight:
294.3278
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)acetamide
InChI:
InChI=1S/C16H10N2O2S/c1-8(19)17-11-6-2-4-9-13(11)16(20)10-5-3-7-12-14(10)15(9)18-21-12/h2-7H,1H3,(H,17,19)
InChI Key:
JNJWDMRFGGSELJ-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cccc2c1C(=O)c1cccc3c1c2ns3
EC Number:
256-896-0
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.046g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.328g/mol
Monoisotopic Mass:
294.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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