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7752-12-7 | 4-methyl-4H-1lambda6,2,4-benzothiadiazine-1,1-dione
CAS No: 7752-12-7 Catalog No: AG01FKXK MDL No:
Product Description
Catalog Number:
AG01FKXK
Chemical Name:
4-methyl-4H-1lambda6,2,4-benzothiadiazine-1,1-dione
CAS Number:
7752-12-7
Molecular Formula:
C8H8N2O2S
Molecular Weight:
196.2263
IUPAC Name:
4-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
InChI:
InChI=1S/C8H8N2O2S/c1-10-6-9-13(11,12)8-5-3-2-4-7(8)10/h2-6H,1H3
InChI Key:
GAMOILWTJHUYFX-UHFFFAOYSA-N
SMILES:
CN1C=NS(=O)(=O)c2c1cccc2
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.224g/mol
Monoisotopic Mass:
196.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Design, synthesis, and pharmacology of novel 7-substituted 3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxides as positive allosteric modulators of AMPA receptors. | Journal of medicinal chemistry 20070628 |
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