Basic information
- Standard SMILES
O=C(c1cn(CC2(F)COC2)c2cc(Cl)ccc12)N1CCC2(CC1)OCc1ccccc12- InChIKey
XWEHFTZYUWSSLC-UHFFFAOYSA-N- Molecular formula
- C25H24ClFN2O3
- Average molar mass
- 454.9 g/mol
Names & identifiers
- Preferred name
- 1'-({6-Chloro-1-[(3-fluorooxetan-3-yl)methyl]-1H-indol-3-yl}carbonyl)-3H-spiro[2-benzofuran-1,4'-piperidine]
- IUPAC
- [6-chloro-1-[(3-fluorooxetan-3-yl)methyl]indol-3-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
Names & synonyms
SCHEMBL4365779XWEHFTZYUWSSLC-UHFFFAOYSA-N1'-({6-Chloro-1-[(3-fluorooxetan-3-yl)methyl]-1H-indol-3-yl}carbonyl)-3H-spiro[2-benzofuran-1,4'-piperidine]
Database identifiers
- PubChem CID
- 59657692
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 726
Related reactions
3 records
Compound notes
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