Basic information
- Standard SMILES
CC(C)(C)C(=O)NCc1ccc(Cl)c(-n2nc(-c3ccc(F)c(C(F)(F)F)c3)[nH]c2=O)c1- InChIKey
CFEYKKNYKOMQID-UHFFFAOYSA-N- Molecular formula
- C21H19ClF4N4O2
- Average molar mass
- 470.8 g/mol
- Monoisotopic mass
- 470.1132662
Names & identifiers
- Preferred name
- N-(4-Chloro-3-(3-(4-fluoro-3-(trifluoromethyl)phenyl)-4,5-dihydro-5-oxo-1,2,4-triazol-1-yl)benzyl)pivalamide
- IUPAC
- N-[[4-chloro-3-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-5-oxo-4H-1,2,4-triazol-1-yl]phenyl]methyl]-2,2-dimethylpropanamide
Names & synonyms
N-(4-Chloro-3-(3-(4-fluoro-3-(trifluoromethyl)phenyl)-4,5-dihydro-5-oxo-1,2,4-triazol-1-yl)benzyl)pivalamideSCHEMBL15540781
Database identifiers
- PubChem CID
- 136644853
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 755
Related reactions
2 records
Compound notes
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