Basic information
- Standard SMILES
CC(C)(F)Cn1ncc2cc(Oc3ccc(F)cc3F)c(C(=O)O)cc21- InChIKey
JMEPPMUEDKQQKZ-UHFFFAOYSA-N- Molecular formula
- C18H15F3N2O3
- Average molar mass
- 364.3 g/mol
- Monoisotopic mass
- 364.10347683
Names & identifiers
- Preferred name
- 5-(2,4-difluorophenoxy)-1-(2-fluoro-2-methylpropyl)-1H-indazole-6-carboxylic acid
- IUPAC
- 5-(2,4-difluorophenoxy)-1-(2-fluoro-2-methylpropyl)indazole-6-carboxylic acid
Names & synonyms
SCHEMBL2458551JMEPPMUEDKQQKZ-UHFFFAOYSA-N5-(2,4-difluorophenoxy)-1-(2-fluoro-2-methylpropyl)-1H-indazole-6-carboxylic acid
Database identifiers
- PubChem CID
- 67416263
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 522
Related reactions
5 records
Compound notes
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