Basic information
- Standard SMILES
COC(=O)CCC(C(N)=O)N1Cc2c(OCC3Cc4ccccc4O3)cccc2C1=O- InChIKey
MCVMLDAJEHESRD-UHFFFAOYSA-N- Molecular formula
- C23H24N2O6
- Average molar mass
- 424.4 g/mol
- Monoisotopic mass
- 424.16343649
Names & identifiers
- Preferred name
- methyl 5-amino-4-[7-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate
- IUPAC
- methyl 5-amino-4-[7-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate
Names & synonyms
SCHEMBL2248694
Database identifiers
- PubChem CID
- 67333583
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 685
Related reactions
2 records
Compound notes
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