Basic information
- Standard SMILES
COc1cc(-c2ccc(C(=O)C(OC)c3ccc(N4CCCS4(=O)=O)cc3)o2)cc(OC)c1Br- InChIKey
WWRXGGMPISSEGO-UHFFFAOYSA-N- Molecular formula
- C24H24BrNO7S
- Average molar mass
- 550.4 g/mol
Names & identifiers
- Preferred name
- 1-(5-(4-Bromo-3,5-dimethoxyphenyl)furan-2-yl)-2-(4-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-2-methoxyethanone
- IUPAC
- 1-[5-(4-bromo-3,5-dimethoxyphenyl)furan-2-yl]-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methoxyethanone
Names & synonyms
SCHEMBL2386078WWRXGGMPISSEGO-UHFFFAOYSA-N1-(5-(4-Bromo-3,5-dimethoxyphenyl)furan-2-yl)-2-(4-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-2-methoxyethanone
Database identifiers
- PubChem CID
- 58432017
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 784
Related reactions
5 records
Compound notes
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