Basic information
- Standard SMILES
COc1cccc(CCN2CCN(c3cccc4cc(C(=O)N(C)C)oc34)CC2)n1- InChIKey
VINCURCLBWSXBM-UHFFFAOYSA-N- Molecular formula
- C23H28N4O3
- Average molar mass
- 408.5 g/mol
- Monoisotopic mass
- 408.21614077
Names & identifiers
- Preferred name
- 7-(4-(2-(6-Methoxypyridin-2-yl)ethyl)piperazin-1-yl)-N,N-dimethylbenzofuran-2-carboxamide
- IUPAC
- 7-[4-[2-(6-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide
Names & synonyms
SCHEMBL931392CHEMBL3650039VINCURCLBWSXBM-UHFFFAOYSA-NBDBM136360US8859534, 467-(4-(2-(6-Methoxypyridin-2-yl)ethyl)piperazin-1-yl)-N,N-dimethylbenzofuran-2-carboxamide
Database identifiers
- PubChem CID
- 59636781
- ChEMBL
CHEMBL3650039
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 567
Related reactions
3 records
Compound notes
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