Basic information
- Standard SMILES
O=C(NC1CCN(c2ncccc2Cl)CC1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1- InChIKey
SBXVIUHANNPIPC-UHFFFAOYSA-N- Molecular formula
- C30H33ClN6O2
- Average molar mass
- 545.1 g/mol
- Monoisotopic mass
- 544.235352
Names & identifiers
- Preferred name
- N-(1-(3-Chloropyridin-2-yl)piperidin-4-yl)-7-(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-carboxamide
- IUPAC
- N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide
Names & synonyms
SCHEMBL3790615CHEMBL3647266SBXVIUHANNPIPC-UHFFFAOYSA-NBDBM136322US8859534, 8N-(1-(3-Chloropyridin-2-yl)piperidin-4-yl)-7-(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-carboxamide
Database identifiers
- PubChem CID
- 59636728
- ChEMBL
CHEMBL3647266
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 789
Related reactions
3 records
Compound notes
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