Basic information
- Standard SMILES
O=C1OC2(CCN(C(=O)c3cn(-c4ccccn4)c4cc(Cl)ccc34)CC2)c2ccccc21- InChIKey
LNWWOAXTIZSHJB-UHFFFAOYSA-N- Molecular formula
- C26H20ClN3O3
- Average molar mass
- 457.9 g/mol
- Monoisotopic mass
- 457.1193192
Names & identifiers
- Preferred name
- 1'-[(6-Chloro-1-pyridin-2-yl-1H-indol-3-yl)carbonyl]-3H-spiro[2-benzofuran-1,4'-piperidin]-3-one
- IUPAC
- 1'-(6-chloro-1-pyridin-2-ylindole-3-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
Names & synonyms
SCHEMBL4359733LNWWOAXTIZSHJB-UHFFFAOYSA-N1'-[(6-Chloro-1-pyridin-2-yl-1H-indol-3-yl)carbonyl]-3H-spiro[2-benzofuran-1,4'-piperidin]-3-one
Database identifiers
- PubChem CID
- 59657622
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 770
Related reactions
2 records
Compound notes
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