Basic information
- Standard SMILES
CC(C)(C)C(=O)NCc1ccc(Cl)c(-n2nc(-c3c(F)cccc3Cl)[nH]c2=O)c1F- InChIKey
RBSOVPWDRRIMQE-UHFFFAOYSA-N- Molecular formula
- C20H18Cl2F2N4O2
- Average molar mass
- 455.3 g/mol
Names & identifiers
- Preferred name
- N-(4-Chloro-3-(3-(2-chloro-6-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-2-fluorobenzyl)pivalamide
- IUPAC
- N-[[4-chloro-3-[3-(2-chloro-6-fluorophenyl)-5-oxo-4H-1,2,4-triazol-1-yl]-2-fluorophenyl]methyl]-2,2-dimethylpropanamide
Names & synonyms
SCHEMBL15551818RBSOVPWDRRIMQE-UHFFFAOYSA-NN-(4-Chloro-3-(3-(2-chloro-6-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-2-fluorobenzyl)pivalamide
Database identifiers
- PubChem CID
- 136246015
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 703
Related reactions
1 records
Compound notes
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