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77854-59-2 | Benzoxazole, 2-(2-benzothiazolylmethyl)-
CAS No: 77854-59-2 Catalog No: AG005RJT MDL No:
Product Description
Catalog Number:
AG005RJT
Chemical Name:
Benzoxazole, 2-(2-benzothiazolylmethyl)-
CAS Number:
77854-59-2
Molecular Formula:
C15H10N2OS
Molecular Weight:
266.3177
IUPAC Name:
2-(1,3-benzothiazol-2-ylmethyl)-1,3-benzoxazole
InChI:
InChI=1S/C15H10N2OS/c1-3-7-12-10(5-1)16-14(18-12)9-15-17-11-6-2-4-8-13(11)19-15/h1-8H,9H2
InChI Key:
SSYYDTWJYBUEFR-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)nc(o2)Cc1sc2c(n1)cccc2
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.051g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.318g/mol
Monoisotopic Mass:
266.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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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