Basic information
- Standard SMILES
CC(=O)c1cc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)c(=O)n(-c2cccc(C(F)(F)F)c2)c1C- InChIKey
NEUAQFSQSRCSIE-UHFFFAOYSA-N- Molecular formula
- C24H21F3N2O5S
- Average molar mass
- 506.5 g/mol
- Monoisotopic mass
- 506.11232743
Names & identifiers
- Preferred name
- 5-Acetyl-6-methyl-N-[4-(methylsulfonyl)benzyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3-carboxamide
- IUPAC
- 5-acetyl-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
Names & synonyms
5-Acetyl-6-methyl-N-[4-(methylsulfonyl)benzyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3-carboxamideSCHEMBL560945
Database identifiers
- PubChem CID
- 66725263
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 1,030
Related reactions
6 records
Compound notes
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