200,000+ products from a single source!
sales@angenechem.com
119584-53-1 | 3(2H)-Benzothiazoleacetic acid, 2-oxo-, phenylmethyl ester
CAS No: 119584-53-1 Catalog No: AG000IZV MDL No:
Product Description
Catalog Number:
AG000IZV
Chemical Name:
3(2H)-Benzothiazoleacetic acid, 2-oxo-, phenylmethyl ester
CAS Number:
119584-53-1
Molecular Formula:
C16H13NO3S
Molecular Weight:
299.3443
IUPAC Name:
benzyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate
InChI:
InChI=1S/C16H13NO3S/c18-15(20-11-12-6-2-1-3-7-12)10-17-13-8-4-5-9-14(13)21-16(17)19/h1-9H,10-11H2
InChI Key:
XXQSRUYGHFZBEY-UHFFFAOYSA-N
SMILES:
O=C(Cn1c(=O)sc2c1cccc2)OCc1ccccc1
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.062g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.344g/mol
Monoisotopic Mass:
299.062g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.