N-(Benzo[d][1,3]dioxol-5-ylmethyl)-7-(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-carboxamide

HCID 59636707

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

Related reactions

3 records

Compound notes

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