Basic information
- Standard SMILES
C[C@@H]1CN(Cc2c(O)ccc3c2OCC3=O)C[C@H](C)N1- InChIKey
GZAARIYQHLSWAJ-AOOOYVTPSA-N- Molecular formula
- C15H20N2O3
- Average molar mass
- 276.33 g/mol
- Monoisotopic mass
- 276.1473925
Names & identifiers
- Preferred name
- 7-[(cis-3,5-dimethylpiperazin-1-yl)methyl]-6-hydroxybenzofuran-3(2H)-one
- IUPAC
- 7-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]-6-hydroxy-1-benzofuran-3-one
Names & synonyms
SCHEMBL14735157GZAARIYQHLSWAJ-AOOOYVTPSA-N7-[(cis-3,5-dimethylpiperazin-1-yl)methyl]-6-hydroxybenzofuran-3(2H)-one
Database identifiers
- PubChem CID
- 71278697
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 366
Related reactions
2 records
Compound notes
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