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17304-62-0 | Pyrazol-5(4H)-one, 1-(2-benzothiazolyl)-3-methyl-
CAS No: 17304-62-0 Catalog No: AG00B5YP MDL No:
Product Description
Catalog Number:
AG00B5YP
Chemical Name:
Pyrazol-5(4H)-one, 1-(2-benzothiazolyl)-3-methyl-
CAS Number:
17304-62-0
IUPAC Name:
2-(1,3-benzothiazol-2-yl)-5-methyl-4H-pyrazol-3-one
InChI:
InChI=1S/C11H9N3OS/c1-7-6-10(15)14(13-7)11-12-8-4-2-3-5-9(8)16-11/h2-5H,6H2,1H3
InChI Key:
YUHMNVVMEMQSHG-UHFFFAOYSA-N
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.047g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.273g/mol
Monoisotopic Mass:
231.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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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