Basic information
- Standard SMILES
COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1c(C(C)=O)c(OC)c3ccoc3c1OC)C2=O- InChIKey
VIIZQSYUDKFSAG-UHFFFAOYSA-N- Molecular formula
- C24H25NO9S
- Average molar mass
- 503.5 g/mol
Names & identifiers
- Preferred name
- 2-(4,7-Dimethoxy-5-acetylbenzofuran-6-yl)oxymethyl-4-isopropyl-6-methoxysaccharin
- IUPAC
- 2-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]-6-methoxy-1,1-dioxo-4-propan-2-yl-1,2-benzothiazol-3-one
Names & synonyms
SCHEMBL7286001VIIZQSYUDKFSAG-UHFFFAOYSA-N2-(4,7-dimethoxy-5-acetylbenzofuran-6-yl)oxymethyl-4-isopropyl-6-methoxysaccharin
Database identifiers
- PubChem CID
- 70045865
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 903
Related reactions
5 records
Compound notes
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