Basic information
- Standard SMILES
COc1cccc(CCN2CCN(c3cccc4cc(C(=O)N5CCC5)oc34)CC2)n1- InChIKey
CIWOESWFVHEUMU-UHFFFAOYSA-N- Molecular formula
- C24H28N4O3
- Average molar mass
- 420.5 g/mol
Names & identifiers
- Preferred name
- Azetidin-1-yl(7-(4-(2-(6-methoxypyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-yl)methanone
- IUPAC
- azetidin-1-yl-[7-[4-[2-(6-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-1-benzofuran-2-yl]methanone
Names & synonyms
SCHEMBL931445CHEMBL3650038CIWOESWFVHEUMU-UHFFFAOYSA-NBDBM136359US8859534, 45Azetidin-1-yl(7-(4-(2-(6-methoxypyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-yl)methanone
Database identifiers
- PubChem CID
- 59636730
- ChEMBL
CHEMBL3650038
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 608
Related reactions
3 records
Compound notes
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