Basic information
- Standard SMILES
O=C(Nc1ccc(N2CCOCC2)cc1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1- InChIKey
XWUPROYFXZAWOD-UHFFFAOYSA-N- Molecular formula
- C30H33N5O3
- Average molar mass
- 511.6 g/mol
Names & identifiers
- Preferred name
- N-(4-Morpholinophenyl)-7-(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-carboxamide
- IUPAC
- N-(4-morpholin-4-ylphenyl)-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide
Names & synonyms
SCHEMBL3785037CHEMBL3647260XWUPROYFXZAWOD-UHFFFAOYSA-NBDBM136316US8859534, 2N-(4-Morpholinophenyl)-7-(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-carboxamide
Database identifiers
- PubChem CID
- 59636758
- ChEMBL
CHEMBL3647260
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 74.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 748
Related reactions
3 records
Compound notes
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