Basic information
- CAS
150322-04-6- Standard SMILES
C=CC(=O)NCc1c(O)ccc2c1Oc1cc(O)ccc1C21OC(=O)c2ccccc21- InChIKey
AKQXAVJRZXNXEO-UHFFFAOYSA-N- Molecular formula
- C24H17NO6
- Average molar mass
- 415.4 g/mol
- Monoisotopic mass
- 415.10558726
Names & identifiers
- Preferred name
- N-[(3',6'-Dihydroxy-3-oxo-3H-spiro[[2]benzofuran-1,9'-xanthen]-4'-yl)methyl]prop-2-enamide
- IUPAC
- N-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-yl)methyl]prop-2-enamide
Names & synonyms
SCHEMBL7973323DTXSID101116289150322-04-62-Propenamide, N-[(3a(2),6a(2)-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9a(2)-[9H]xanthen]-4a(2)-yl)methyl]-N-[(3',6'-Dihydroxy-3-oxo-3H-spiro[[2]benzofuran-1,9'-xanthen]-4'-yl)methyl]prop-2-enamide
Database identifiers
- CAS
150322-04-6- PubChem CID
- 21999526
- DTXSID
DTXSID101116289
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 742
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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