Basic information
- Standard SMILES
CSc1c(F)cc(-c2c(-c3ccccc3)noc2C)cc1F- InChIKey
KIFDTOFGXVCFFE-UHFFFAOYSA-N- Molecular formula
- C17H13F2NOS
- Average molar mass
- 317.4 g/mol
Names & identifiers
- Preferred name
- 4-[3,5-Difluoro-4-(methylthio)phenyl]-5-methyl-3-phenylisoxazole
- IUPAC
- 4-(3,5-difluoro-4-methylsulfanylphenyl)-5-methyl-3-phenyl-1,2-oxazole
Names & synonyms
SCHEMBL6735335KIFDTOFGXVCFFE-UHFFFAOYSA-N4-[3,5-difluoro-4-(methylthio)phenyl]-5-methyl-3-phenylisoxazole
Database identifiers
- PubChem CID
- 22745587
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 355
Related reactions
5 records
Compound notes
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