1-(5-(2-(4-(2-(Azetidine-1-carbonyl)benzofuran-7-yl)piperazin-1-yl)ethyl)indolin-1-yl)ethanone

HCID 59636721

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

Related reactions

3 records

Compound notes

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