Basic information
- Standard SMILES
COc1c(C(C)C)cc(C=C2C(=O)Nc3cc(F)ccc32)cc1C(C)C- InChIKey
CPPBHZQMSBVNSN-UHFFFAOYSA-N- Molecular formula
- C22H24FNO2
- Average molar mass
- 353.4 g/mol
Names & identifiers
- Preferred name
- 3-(3,5-Diisopropyl-4-methoxybenzylidene)-6-fluoro-1,3-dihydroindol-2-one
- IUPAC
- 6-fluoro-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one
Names & synonyms
SCHEMBL6404850CPPBHZQMSBVNSN-UHFFFAOYSA-N3-(3,5-diisopropyl-4-methoxybenzylidene)-6-fluoro-1,3-dihydroindol-2-one
Database identifiers
- PubChem CID
- 53733570
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 526
Related reactions
3 records
Compound notes
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