Basic information
- Standard SMILES
CC(=O)Nc1ccc(CCN2CCN(c3cccc4cc(C(=O)N(C)C)oc34)CC2)nc1- InChIKey
WJWJXULJOUOQIG-UHFFFAOYSA-N- Molecular formula
- C24H29N5O3
- Average molar mass
- 435.5 g/mol
- Monoisotopic mass
- 435.2270398
Names & identifiers
- Preferred name
- 7-(4-(2-(5-Acetamidopyridin-2-yl)ethyl)piperazin-1-yl)-N,N-dimethylbenzofuran-2-carboxamide
- IUPAC
- 7-[4-[2-(5-acetamido-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide
Names & synonyms
SCHEMBL931714CHEMBL3650037WJWJXULJOUOQIG-UHFFFAOYSA-NBDBM136358US8859534, 447-(4-(2-(5-Acetamidopyridin-2-yl)ethyl)piperazin-1-yl)-N,N-dimethylbenzofuran-2-carboxamide
Database identifiers
- PubChem CID
- 59636773
- ChEMBL
CHEMBL3650037
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 652
Related reactions
3 records
Compound notes
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