Basic information
- Standard SMILES
O=C(NCc1ccc2c(c1)OCO2)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1- InChIKey
WKFLHPZCSXAWKK-UHFFFAOYSA-N- Molecular formula
- C28H28N4O4
- Average molar mass
- 484.5 g/mol
Names & identifiers
- Preferred name
- N-(Benzo[d][1,3]dioxol-5-ylmethyl)-7-(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-carboxamide
- IUPAC
- N-(1,3-benzodioxol-5-ylmethyl)-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide
Names & synonyms
SCHEMBL931141CHEMBL3647268WKFLHPZCSXAWKK-UHFFFAOYSA-NBDBM136324US8859534, 10N-(Benzo[d][1,3]dioxol-5-ylmethyl)-7-(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-carboxamide
Database identifiers
- PubChem CID
- 59636707
- ChEMBL
CHEMBL3647268
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 80.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 732
Related reactions
3 records
Compound notes
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