Basic information
- Standard SMILES
CC(=O)Nc1ccc(F)cc1CCN1CCN(c2nsc3ccccc23)CC1- InChIKey
HVEDCKARWAKYGQ-UHFFFAOYSA-N- Molecular formula
- C21H23FN4OS
- Average molar mass
- 398.5 g/mol
Names & identifiers
- Preferred name
- N-{2-[2-(4-1,2-benzisothiazol-3-yl-piperazin-1-yl)-ethyl]-4-fluoro-phenyl}-acetamide
- IUPAC
- N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-4-fluorophenyl]acetamide
Names & synonyms
SCHEMBL6106042HVEDCKARWAKYGQ-UHFFFAOYSA-NN-{2-[2-(4-1,2-benzisothiazol-3-yl-piperazin-1-yl)-ethyl]-4-fluoro-phenyl}-acetamide
Database identifiers
- PubChem CID
- 21963316
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 531
Related reactions
2 records
Compound notes
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