Basic information
- Standard SMILES
CN(C)C(=O)c1cc2cccc(N3CCN(CCc4ccc(F)cn4)CC3)c2o1- InChIKey
JYXZCGMXPABTBZ-UHFFFAOYSA-N- Molecular formula
- C22H25FN4O2
- Average molar mass
- 396.5 g/mol
- Monoisotopic mass
- 396.19615422
Names & identifiers
- Preferred name
- 7-(4-(2-(5-Fluoropyridin-2-yl)ethyl)piperazin-1-yl)-N,N-dimethylbenzofuran-2-carboxamide
- IUPAC
- 7-[4-[2-(5-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide
Names & synonyms
SCHEMBL932091CHEMBL3650040JYXZCGMXPABTBZ-UHFFFAOYSA-NBDBM136361US8859534, 477-(4-(2-(5-Fluoropyridin-2-yl)ethyl)piperazin-1-yl)-N,N-dimethylbenzofuran-2-carboxamide
Database identifiers
- PubChem CID
- 59636731
- ChEMBL
CHEMBL3650040
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 52.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 555
Related reactions
3 records
Linked notes
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