Basic information
- Standard SMILES
O=C1OC2(CCN(C(=O)c3cn(C(=O)c4cccc(F)c4)c4cc(Cl)ccc34)CC2)c2ccccc21- InChIKey
IXWZKYCAZFOFCH-UHFFFAOYSA-N- Molecular formula
- C28H20ClFN2O4
- Average molar mass
- 502.9 g/mol
- Monoisotopic mass
- 502.109563
Names & identifiers
- Preferred name
- 1'-{[6-chloro-1-(3-fluorobenzoyl)-1H-indol-3-yl]carbonyl}-3H-spiro[2-benzofuran-1,4'-piperidin]-3-one
- IUPAC
- 1'-[6-chloro-1-(3-fluorobenzoyl)indole-3-carbonyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
Names & synonyms
SCHEMBL4362791IXWZKYCAZFOFCH-UHFFFAOYSA-N1'-{[6-chloro-1-(3-fluorobenzoyl)-1H-indol-3-yl]carbonyl}-3H-spiro[2-benzofuran-1,4'-piperidin]-3-one
Database identifiers
- PubChem CID
- 57978136
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 68.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 893
Related reactions
3 records
Compound notes
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