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413606-87-8 | Benzo[D]Thiazol-2-Yl(4-Methoxyphenyl)Methanol
CAS No: 413606-87-8 Catalog No: AG00CMV3 MDL No:MFCD00569750
Product Description
Catalog Number:
AG00CMV3
Chemical Name:
Benzo[D]Thiazol-2-Yl(4-Methoxyphenyl)Methanol
CAS Number:
413606-87-8
Molecular Formula:
C15H13NO2S
Molecular Weight:
271.3342
MDL Number:
MFCD00569750
IUPAC Name:
1,3-benzothiazol-2-yl-(4-methoxyphenyl)methanol
InChI:
InChI=1S/C15H13NO2S/c1-18-11-8-6-10(7-9-11)14(17)15-16-12-4-2-3-5-13(12)19-15/h2-9,14,17H,1H3
InChI Key:
IBZWNCTWDYZBNG-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(c1nc2c(s1)cccc2)O
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.334g/mol
Monoisotopic Mass:
271.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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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