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27979-00-6 | 1-(1,3-Benzothiazol-2-yl)-3-phenyl-1H-pyrazol-5-ol
CAS No: 27979-00-6 Catalog No: AG00I59G MDL No:
Product Description
Catalog Number:
AG00I59G
Chemical Name:
1-(1,3-Benzothiazol-2-yl)-3-phenyl-1H-pyrazol-5-ol
CAS Number:
27979-00-6
IUPAC Name:
2-(1,3-benzothiazol-2-yl)-5-phenyl-1H-pyrazol-3-one
InChI:
InChI=1S/C16H11N3OS/c20-15-10-13(11-6-2-1-3-7-11)18-19(15)16-17-12-8-4-5-9-14(12)21-16/h1-10,18H
InChI Key:
USKNSFTWIPDZFI-UHFFFAOYSA-N
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.062g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.344g/mol
Monoisotopic Mass:
293.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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