Basic information
- Standard SMILES
CN(C)CCn1cc(C(=O)N2CCC3(CC2)OC(=O)c2cc(F)ccc23)c2ccc(Cl)cc21- InChIKey
USKYZQMRWJYKAI-UHFFFAOYSA-N- Molecular formula
- C25H25ClFN3O3
- Average molar mass
- 469.9 g/mol
- Monoisotopic mass
- 469.1568475
Names & identifiers
- Preferred name
- 1'-({6-Chloro-1-[2-(dimethylamino)ethyl]-1H-indol-3-yl}carbonyl)-5-fluoro-3H-spiro[2-benzofuran-1,4'-piperidin]-3-one
- IUPAC
- 1'-[6-chloro-1-[2-(dimethylamino)ethyl]indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
Names & synonyms
SCHEMBL4364414USKYZQMRWJYKAI-UHFFFAOYSA-N1'-({6-Chloro-1-[2-(dimethylamino)ethyl]-1H-indol-3-yl}carbonyl)-5-fluoro-3H-spiro[2-benzofuran-1,4'-piperidin]-3-one
Database identifiers
- PubChem CID
- 59657664
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 759
Related reactions
3 records
Compound notes
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