Tert-butyl 4-[3-(6-methoxy-3-oxo-2,3-dihydrobenzofuran-7-yl)prop-2-ynyl]piperazine-1-carboxylate
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Basic information
- Standard SMILES
COc1ccc2c(c1C#CCN1CCN(C(=O)OC(C)(C)C)CC1)OCC2=O- InChIKey
CJMAOXNSRUFIMV-UHFFFAOYSA-N- Molecular formula
- C21H26N2O5
- Average molar mass
- 386.4 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-[3-(6-methoxy-3-oxo-2,3-dihydrobenzofuran-7-yl)prop-2-ynyl]piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-[3-(6-methoxy-3-oxo-1-benzofuran-7-yl)prop-2-ynyl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL14734959CJMAOXNSRUFIMV-UHFFFAOYSA-Ntert-butyl 4-[3-(6-methoxy-3-oxo-2,3-dihydrobenzofuran-7-yl)prop-2-ynyl]piperazine-1-carboxylate
Database identifiers
- PubChem CID
- 71278554
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 651
Related reactions
4 records
Compound notes
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