Basic information
- CAS
5319-50-6- Standard SMILES
COc1cc(OC)c2nc(NC(=O)c3ccccc3F)sc2c1- InChIKey
XWCPPXPWUIOAAT-UHFFFAOYSA-N- Molecular formula
- C16H13FN2O3S
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.06309162
Names & identifiers
- Preferred name
- N-(4,6-dimethoxybenzothiazol-2-yl)-2-fluoro-benzamide
- IUPAC
- N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-fluorobenzamide
Names & synonyms
5319-50-6N-(4,6-dimethoxybenzothiazol-2-yl)-2-fluoro-benzamideN-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-fluorobenzamideDTXSID80359225
Database identifiers
- CAS
5319-50-6- PubChem CID
- 952437
- DTXSID
DTXSID80359225
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 88.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 428
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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