Basic information
- Standard SMILES
Fc1ccccc1N1CCN(CCCOc2cccc(-c3noc4ccsc34)c2)CC1- InChIKey
RIOZKBNPMPJRGT-UHFFFAOYSA-N- Molecular formula
- C24H24FN3O2S
- Average molar mass
- 437.5 g/mol
Names & identifiers
- Preferred name
- 3-(3-{3-[4-(2-Fluoro-phenyl)-piperazin-1-yl]-propoxy}-phenyl)-thieno[2,3-d]isoxazole
- IUPAC
- 3-[3-[3-[4-(2-fluorophenyl)piperazin-1-yl]propoxy]phenyl]thieno[2,3-d][1,2]oxazole
Names & synonyms
SCHEMBL6070234RIOZKBNPMPJRGT-UHFFFAOYSA-N3-(3-{3-[4-(2-fluoro-phenyl)-piperazin-1-yl]-propoxy}-phenyl)-thieno[2,3-d]isoxazole
Database identifiers
- PubChem CID
- 21983565
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 565
Related reactions
2 records
Compound notes
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