Basic information
- Standard SMILES
O=C(NCc1ccccn1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1- InChIKey
XIKBBDZPWPLOFN-UHFFFAOYSA-N- Molecular formula
- C26H27N5O2
- Average molar mass
- 441.5 g/mol
Names & identifiers
- Preferred name
- 7-(4-(2-(Pyridin-2-yl)ethyl)piperazin-1-yl)-N-(pyridin-2-ylmethyl)benzofuran-2-carboxamide
- IUPAC
- 7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide
Names & synonyms
SCHEMBL931346CHEMBL3647259XIKBBDZPWPLOFN-UHFFFAOYSA-NBDBM136315US8859534, 17-(4-(2-(Pyridin-2-yl)ethyl)piperazin-1-yl)-N-(pyridin-2-ylmethyl)benzofuran-2-carboxamide
Database identifiers
- PubChem CID
- 59636772
- ChEMBL
CHEMBL3647259
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 74.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 626
Related reactions
3 records
Compound notes
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