Basic information
- Standard SMILES
FC(F)(F)c1ccc(CNCCOc2cccc(-c3noc4ccsc34)c2)cc1- InChIKey
AXWKUSGIBQSCJM-UHFFFAOYSA-N- Molecular formula
- C21H17F3N2O2S
- Average molar mass
- 418.4 g/mol
Names & identifiers
- Preferred name
- [2-(3-Thieno[2,3-d]isoxazol-3-yl-phenoxy)-ethyl]-(4-trifluoromethylbenzyl)-amine
- IUPAC
- 2-(3-thieno[2,3-d][1,2]oxazol-3-ylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
Names & synonyms
[2-(3-thieno[2,3-d]isoxazol-3-yl-phenoxy)-ethyl]-(4-trifluoromethylbenzyl)-amineSCHEMBL6069936
Database identifiers
- PubChem CID
- 21983567
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 517
Related reactions
2 records
Compound notes
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