Basic information
- Standard SMILES
O=C(c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1)N1CCC1- InChIKey
ADPQAJXGMQOWHJ-UHFFFAOYSA-N- Molecular formula
- C23H26N4O2
- Average molar mass
- 390.5 g/mol
Names & identifiers
- Preferred name
- Azetidin-1-yl(7-(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-yl)methanone
- IUPAC
- azetidin-1-yl-[7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-yl]methanone
Names & synonyms
SCHEMBL931468CHEMBL3647273ADPQAJXGMQOWHJ-UHFFFAOYSA-NBDBM136329US8859534, 15Azetidin-1-yl(7-(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-yl)methanone
Database identifiers
- PubChem CID
- 59636729
- ChEMBL
CHEMBL3647273
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 52.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 561
Related reactions
3 records
Compound notes
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