Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(Cc2c(O)ccc3c2OCC3=O)CC1- InChIKey
QXOVXHJBAWQSOP-UHFFFAOYSA-N- Molecular formula
- C18H24N2O5
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.16852187
Names & identifiers
- Preferred name
- Tert-butyl 4-[(6-hydroxy-3-oxo-2,3-dihydrobenzofuran-7-yl)methyl]piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-[(6-hydroxy-3-oxo-1-benzofuran-7-yl)methyl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL14735205QXOVXHJBAWQSOP-UHFFFAOYSA-Ntert-butyl 4-[(6-hydroxy-3-oxo-2,3-dihydrobenzofuran-7-yl)methyl]piperazine-1-carboxylatetert-butyl 4-[1-(6-hydroxy-3-oxo-2,3-dihydrobenzofuran-7-yl)methyl]piperazine-1-carboxylate
Database identifiers
- PubChem CID
- 60155786
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 510
Related reactions
35 records
Compound notes
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