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69195-13-7 | 3(2H)-Benzothiazolepropanamide, 2-oxo-
CAS No: 69195-13-7 Catalog No: AG005KL8 MDL No:
Product Description
Catalog Number:
AG005KL8
Chemical Name:
3(2H)-Benzothiazolepropanamide, 2-oxo-
CAS Number:
69195-13-7
Molecular Formula:
C10H10N2O2S
Molecular Weight:
222.2636
IUPAC Name:
3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
InChI:
InChI=1S/C10H10N2O2S/c11-9(13)5-6-12-7-3-1-2-4-8(7)15-10(12)14/h1-4H,5-6H2,(H2,11,13)
InChI Key:
MRMHXFBLVWWSQP-UHFFFAOYSA-N
SMILES:
NC(=O)CCn1c(=O)sc2c1cccc2
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.262g/mol
Monoisotopic Mass:
222.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Synthesis and antinociceptive activity of (2-benzazolon-3-yl)propionamide derivatives. | Archiv der Pharmazie 20010101 |
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