Basic information
- Standard SMILES
CC(=O)N1CCc2cc(CCN3CCN(c4cccc5cc(C(=O)N6CCC6)oc45)CC3)ccc21- InChIKey
JJFIAOXNXKGGSA-UHFFFAOYSA-N- Molecular formula
- C28H32N4O3
- Average molar mass
- 472.6 g/mol
- Monoisotopic mass
- 472.2474409
Names & identifiers
- Preferred name
- 1-(5-(2-(4-(2-(Azetidine-1-carbonyl)benzofuran-7-yl)piperazin-1-yl)ethyl)indolin-1-yl)ethanone
- IUPAC
- 1-[5-[2-[4-[2-(azetidine-1-carbonyl)-1-benzofuran-7-yl]piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone
Names & synonyms
SCHEMBL932199CHEMBL3650042JJFIAOXNXKGGSA-UHFFFAOYSA-NBDBM136363US8859534, 491-(5-(2-(4-(2-(Azetidine-1-carbonyl)benzofuran-7-yl)piperazin-1-yl)ethyl)indolin-1-yl)ethanone
Database identifiers
- PubChem CID
- 59636721
- ChEMBL
CHEMBL3650042
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 780
Related reactions
3 records
Compound notes
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