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100817-89-8 | Acetamide, N-(4-methyl-2-benzothiazolyl)- (9CI)
CAS No: 100817-89-8 Catalog No: AG0097LH MDL No:
Product Description
Catalog Number:
AG0097LH
Chemical Name:
Acetamide, N-(4-methyl-2-benzothiazolyl)- (9CI)
CAS Number:
100817-89-8
IUPAC Name:
N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
InChI:
InChI=1S/C10H10N2OS/c1-6-4-3-5-8-9(6)12-10(14-8)11-7(2)13/h3-5H,1-2H3,(H,11,12,13)
InChI Key:
REWPYVREDAQTMO-UHFFFAOYSA-N
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.263g/mol
Monoisotopic Mass:
206.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
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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