Basic information
- Standard SMILES
Fc1ccc(CNCCCOc2cccc(-c3noc4ccsc34)c2)c(F)c1- InChIKey
YGPOQGNYINUAHC-UHFFFAOYSA-N- Molecular formula
- C21H18F2N2O2S
- Average molar mass
- 400.4 g/mol
Names & identifiers
- Preferred name
- (2,4-Difluoro-benzyl)-[3-(3-thieno[2,3-d]isoxazol-3-yl-phenoxy)-propyl]-amine
- IUPAC
- N-[(2,4-difluorophenyl)methyl]-3-(3-thieno[2,3-d][1,2]oxazol-3-ylphenoxy)propan-1-amine
Names & synonyms
SCHEMBL6069883YGPOQGNYINUAHC-UHFFFAOYSA-N(2,4-difluoro-benzyl)-[3-(3-thieno[2,3-d]isoxazol-3-yl-phenoxy)-propyl]-amine
Database identifiers
- PubChem CID
- 21983598
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 489
Related reactions
2 records
Compound notes
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