Basic information
- Standard SMILES
CS(=O)(=O)c1ccc(-c2cc(=O)[nH]c(C(F)(F)F)c2-c2ccc(F)cc2)cc1- InChIKey
HNYYRJLGWAVFAI-UHFFFAOYSA-N- Molecular formula
- C19H13F4NO3S
- Average molar mass
- 411.4 g/mol
- Monoisotopic mass
- 411.0552271
Names & identifiers
- Preferred name
- 5-(4-Fluorophenyl)-4-[4-(methylsulfonyl)phenyl]-6-(trifluoromethyl)-2-oxo-pyridine
- IUPAC
- 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
Names & synonyms
5-(4-fluorophenyl)-4-[4-(methylsulfonyl)phenyl]-6-(trifluoromethyl)-2-oxo-pyridineSCHEMBL8058572
Database identifiers
- PubChem CID
- 23355258
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 779
Related reactions
6 records
Compound notes
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