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56048-51-2 | 2-Naphthalen-2-yl-benzothiazole
CAS No: 56048-51-2 Catalog No: AG00DI06 MDL No:
Product Description
Catalog Number:
AG00DI06
Chemical Name:
2-Naphthalen-2-yl-benzothiazole
CAS Number:
56048-51-2
IUPAC Name:
2-naphthalen-2-yl-1,3-benzothiazole
InChI:
InChI=1S/C17H11NS/c1-2-6-13-11-14(10-9-12(13)5-1)17-18-15-7-3-4-8-16(15)19-17/h1-11H
InChI Key:
IUQMQRAOHBNYAU-UHFFFAOYSA-N
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.061g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.342g/mol
Monoisotopic Mass:
261.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
Literature
| Title | Journal |
|---|---|
| Synthesis of novel inhibitors of β-glucuronidase based on benzothiazole skeleton and study of their binding affinity by molecular docking. | Bioorganic & medicinal chemistry 20110715 |
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