Basic information
- Standard SMILES
CC(C)(C)C#Cc1ccc(-c2nn(-c3c(Cl)ccc(CNC(=O)C(C)(C)C)c3F)c(=O)[nH]2)cc1- InChIKey
KVTRHRSGKWQWMW-UHFFFAOYSA-N- Molecular formula
- C26H28ClFN4O2
- Average molar mass
- 483 g/mol
Names & identifiers
- Preferred name
- N-(4-Chloro-2-fluoro-3-(4,5-dihydro-3-(4-(3,3-dimethylbut-1-ynyl)phenyl)-5-oxo-1,2,4-triazol-1-yl)benzyl)pivalamide
- IUPAC
- N-[[4-chloro-3-[3-[4-(3,3-dimethylbut-1-ynyl)phenyl]-5-oxo-4H-1,2,4-triazol-1-yl]-2-fluorophenyl]methyl]-2,2-dimethylpropanamide
Names & synonyms
SCHEMBL15560813KVTRHRSGKWQWMW-UHFFFAOYSA-NN-(4-Chloro-2-fluoro-3-(4,5-dihydro-3-(4-(3,3-dimethylbut-1-ynyl)phenyl)-5-oxo-1,2,4-triazol-1-yl)benzyl)pivalamide
Database identifiers
- PubChem CID
- 136246111
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 871
Related reactions
2 records
Compound notes
Loading…