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99071-97-3 | 2H-1,4-Benzothiazine-2-acetamide, 3,4-dihydro-3-oxo-
CAS No: 99071-97-3 Catalog No: AG006PJ0 MDL No:
Product Description
Catalog Number:
AG006PJ0
Chemical Name:
2H-1,4-Benzothiazine-2-acetamide, 3,4-dihydro-3-oxo-
CAS Number:
99071-97-3
Molecular Formula:
C10H10N2O2S
Molecular Weight:
222.2636
IUPAC Name:
2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
InChI:
InChI=1S/C10H10N2O2S/c11-9(13)5-8-10(14)12-6-3-1-2-4-7(6)15-8/h1-4,8H,5H2,(H2,11,13)(H,12,14)
InChI Key:
VRKDECQJFMJECI-UHFFFAOYSA-N
SMILES:
NC(=O)CC1Sc2ccccc2NC1=O
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.262g/mol
Monoisotopic Mass:
222.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
97.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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