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56048-52-3 | 2-(4-tert-Butyl-phenyl)-benzothiazole
CAS No: 56048-52-3 Catalog No: AG00DI09 MDL No:
Product Description
Catalog Number:
AG00DI09
Chemical Name:
2-(4-tert-Butyl-phenyl)-benzothiazole
CAS Number:
56048-52-3
IUPAC Name:
2-(4-tert-butylphenyl)-1,3-benzothiazole
InChI:
InChI=1S/C17H17NS/c1-17(2,3)13-10-8-12(9-11-13)16-18-14-6-4-5-7-15(14)19-16/h4-11H,1-3H3
InChI Key:
RBKGJKUWWDNBNT-UHFFFAOYSA-N
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.108g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.39g/mol
Monoisotopic Mass:
267.108g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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