Basic information
- Standard SMILES
Cc1c(C(O)CN2CCN(CCc3ccc4c(c3)COC4=O)CC2)ccc2c1COC2=O- InChIKey
YCEJCLDIJNRKQW-UHFFFAOYSA-N- Molecular formula
- C25H28N2O5
- Average molar mass
- 436.5 g/mol
Names & identifiers
- Preferred name
- 5-(1-Hydroxy-2-{4-[2-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)ethyl]piperazin-1-yl}ethyl)-4-methyl-2-benzofuran-1(3H)-one
- IUPAC
- 5-[1-hydroxy-2-[4-[2-(1-oxo-3H-2-benzofuran-5-yl)ethyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one
Names & synonyms
SCHEMBL2897307YCEJCLDIJNRKQW-UHFFFAOYSA-N5-(1-Hydroxy-2-{4-[2-(1-oxo-1,3-dihydro-2-benzo furan-5-yl)ethyl]piperazin-1-yl}ethyl)-4-methyl-2-benzofuran-1(3H)-one5-(1-Hydroxy-2-{4-[2-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)ethyl]piperazin-1-yl}ethyl)-4-methyl-2-benzofuran-1(3H)-one
Database identifiers
- PubChem CID
- 49804479
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 694
Related reactions
2 records
Compound notes
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