Basic information
- Standard SMILES
Fc1ccc(CNCCOc2cccc(-c3noc4ccsc34)c2)cc1F- InChIKey
BNSWXOAFCHGIPX-UHFFFAOYSA-N- Molecular formula
- C20H16F2N2O2S
- Average molar mass
- 386.4 g/mol
Names & identifiers
- Preferred name
- (3,4-Difluoro-benzyl)-[2-(3-thieno[2,3-d]isoxazol-3-yl-phenoxy)-ethyl]-amine
- IUPAC
- N-[(3,4-difluorophenyl)methyl]-2-(3-thieno[2,3-d][1,2]oxazol-3-ylphenoxy)ethanamine
Names & synonyms
SCHEMBL6069845BNSWXOAFCHGIPX-UHFFFAOYSA-N(3,4-difluoro-benzyl)-[2-(3-thieno[2,3-d]isoxazol-3-yl-phenoxy)-ethyl]-amine
Database identifiers
- PubChem CID
- 21983576
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 475
Related reactions
2 records
Compound notes
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