Basic information
- Standard SMILES
CC(C)CC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(C)(C)C(=O)O- InChIKey
JPEZZSYWZDZQPA-UHFFFAOYSA-N- Molecular formula
- C22H25FN2O2
- Average molar mass
- 368.4 g/mol
- Monoisotopic mass
- 368.19000621
Names & identifiers
- Preferred name
- 3-(1-(4-fluorophenyl)-1H-indazol-5-yl)-2,2,5-trimethylhexanoic acid
- IUPAC
- 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,5-trimethylhexanoic acid
Names & synonyms
SCHEMBL1361751JPEZZSYWZDZQPA-UHFFFAOYSA-N3-(1-(4-fluorophenyl)-1H-indazol-5-yl)-2,2,5-trimethylhexanoic acid
Database identifiers
- PubChem CID
- 67005444
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 516
Related reactions
4 records
Compound notes
Loading…