Basic information
- Standard SMILES
O=C1OCc2cc(C(O)CN3CCN(CCc4ccc5nonc5c4)CC3)ccc21- InChIKey
LUYKZPSWAVAOOZ-UHFFFAOYSA-N- Molecular formula
- C22H24N4O4
- Average molar mass
- 408.4 g/mol
Names & identifiers
- Preferred name
- 5-(2-{4-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]piperazin-1-yl}-1-hydroxyethyl)-2-benzofuran-1(3H)-one
- IUPAC
- 5-[2-[4-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]piperazin-1-yl]-1-hydroxyethyl]-3H-2-benzofuran-1-one
Names & synonyms
SCHEMBL300393LUYKZPSWAVAOOZ-UHFFFAOYSA-N5-(2-{4-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]piperazin-1-yl}-1-hydroxyethyl)-2-benzofuran-1(3H)-one
Database identifiers
- PubChem CID
- 49802495
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 600
Related reactions
2 records
Compound notes
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