Basic information
- Standard SMILES
CC(C)(NCc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1)C(=O)O- InChIKey
HOYKGNZAIHKIBW-UHFFFAOYSA-N- Molecular formula
- C26H22FN7O3
- Average molar mass
- 499.5 g/mol
Names & identifiers
- Preferred name
- N-(4-{5-[1-(2-fluorophenyl)-5-pyridin-4-yl-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazol-3-yl}benzyl)-2-methylalanine
- IUPAC
- 2-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]-2-methylpropanoic acid
Names & synonyms
SCHEMBL3753778HOYKGNZAIHKIBW-UHFFFAOYSA-NN-(4-{5-[1-(2-fluorophenyl)-5-pyridin-4-yl-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazol-3-yl}benzyl)-2-methylalanine
Database identifiers
- PubChem CID
- 59604115
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 762
Related reactions
2 records
Compound notes
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