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169058-47-3 | 3-METHYL-1,4(4H)-BENZOTHIAZINE-2-CARBOHYDRAZIDE
CAS No: 169058-47-3 Catalog No: AG007AXQ MDL No:MFCD00173936
Product Description
Catalog Number:
AG007AXQ
Chemical Name:
3-METHYL-1,4(4H)-BENZOTHIAZINE-2-CARBOHYDRAZIDE
CAS Number:
169058-47-3
Molecular Formula:
C10H11N3OS
Molecular Weight:
221.2788
MDL Number:
MFCD00173936
IUPAC Name:
3-methyl-4H-1,4-benzothiazine-2-carbohydrazide
InChI:
InChI=1S/C10H11N3OS/c1-6-9(10(14)13-11)15-8-5-3-2-4-7(8)12-6/h2-5,12H,11H2,1H3,(H,13,14)
InChI Key:
VRJBHUOXEDABKA-UHFFFAOYSA-N
SMILES:
NNC(=O)C1=C(C)Nc2c(S1)cccc2
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.062g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
221.278g/mol
Monoisotopic Mass:
221.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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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