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83715-97-3 | 2H-1,4-Benzothiazin-3(4H)-one, 2-ethyl-
CAS No: 83715-97-3 Catalog No: AG004T6B MDL No:
Product Description
Catalog Number:
AG004T6B
Chemical Name:
2H-1,4-Benzothiazin-3(4H)-one, 2-ethyl-
CAS Number:
83715-97-3
Molecular Formula:
C10H11NOS
Molecular Weight:
193.2654
IUPAC Name:
2-ethyl-4H-1,4-benzothiazin-3-one
InChI:
InChI=1S/C10H11NOS/c1-2-8-10(12)11-7-5-3-4-6-9(7)13-8/h3-6,8H,2H2,1H3,(H,11,12)
InChI Key:
LOQBNBMYVUDPHC-UHFFFAOYSA-N
SMILES:
CCC1Sc2ccccc2NC1=O
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.264g/mol
Monoisotopic Mass:
193.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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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