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133044-32-3 | 2(3H)-Benzothiazolone, 6-benzoyl-3-methyl-
CAS No: 133044-32-3 Catalog No: AG0011KL MDL No:
Product Description
Catalog Number:
AG0011KL
Chemical Name:
2(3H)-Benzothiazolone, 6-benzoyl-3-methyl-
CAS Number:
133044-32-3
Molecular Formula:
C15H11NO2S
Molecular Weight:
269.3183
IUPAC Name:
6-benzoyl-3-methyl-1,3-benzothiazol-2-one
InChI:
InChI=1S/C15H11NO2S/c1-16-12-8-7-11(9-13(12)19-15(16)18)14(17)10-5-3-2-4-6-10/h2-9H,1H3
InChI Key:
OYSOFVGLZRUOHB-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1)sc(=O)n2C)c1ccccc1
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.051g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.318g/mol
Monoisotopic Mass:
269.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Synthesis and antiviral activity of 6-benzoyl-benzoxazolin-2-one and 6-benzoyl-benzothiazolin-2-one derivatives. | Antiviral chemistry & chemotherapy 19990301 |
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