Basic information
- Standard SMILES
Fc1ccc(-c2onc3ccc(-c4ccnn4-c4ccc(F)cc4F)cc23)cc1- InChIKey
VQKDEOBXDBRFJL-UHFFFAOYSA-N- Molecular formula
- C22H12F3N3O
- Average molar mass
- 391.3 g/mol
Names & identifiers
- Preferred name
- 5-[2-(2,4-Difluoro-phenyl)-2H-pyrazol-3-yl]-3-(4-fluoro-phenyl)-benzo[c]isoxazole
- IUPAC
- 5-[2-(2,4-difluorophenyl)pyrazol-3-yl]-3-(4-fluorophenyl)-2,1-benzoxazole
Names & synonyms
SCHEMBL17075424VQKDEOBXDBRFJL-UHFFFAOYSA-N5-[2-(2,4-Difluoro-phenyl)-2H-pyrazol-3-yl]-3-(4-fluoro-phenyl)-benzo[c]isoxazole
Database identifiers
- PubChem CID
- 73053295
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 561
Related reactions
1 records
Compound notes
Loading…