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100637-60-3 | 4H-1,4-Benzothiazine-4-acetic acid, 2,3-dihydro-3-oxo-
CAS No: 100637-60-3 Catalog No: AG0002JI MDL No:MFCD00665896
Product Description
Catalog Number:
AG0002JI
Chemical Name:
4H-1,4-Benzothiazine-4-acetic acid, 2,3-dihydro-3-oxo-
CAS Number:
100637-60-3
Molecular Formula:
C10H9NO3S
Molecular Weight:
223.2484
MDL Number:
MFCD00665896
IUPAC Name:
2-(3-oxo-1,4-benzothiazin-4-yl)acetic acid
InChI:
InChI=1S/C10H9NO3S/c12-9-6-15-8-4-2-1-3-7(8)11(9)5-10(13)14/h1-4H,5-6H2,(H,13,14)
InChI Key:
JLTWTIZTEXPRTI-UHFFFAOYSA-N
SMILES:
OC(=O)CN1C(=O)CSc2c1cccc2
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.03g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.246g/mol
Monoisotopic Mass:
223.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Synthesis, characterization and pharmacological activity of 4-{[1-substituted aminomethyl-4-arylideneamino-5-sulfanyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-2H-1,4-benzothiazin-3(4H)-ones. | European journal of medicinal chemistry 20110901 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 2-(3-Oxo-3,4-dihydro-2H-1,4-benzothia-zin-4-yl)acetohydrazide. | Acta crystallographica. Section E, Structure reports online 20100901 |
| 4-(1H-Benzimidazol-2-ylmeth-yl)-2H-1,4-benzothia-zin-3(4H)-one. | Acta crystallographica. Section E, Structure reports online 20100601 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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