Basic information
- Standard SMILES
OC[C@H]1O[C@@H](n2cc(Cc3ccc4occc4c3)c3c(Cl)c(F)ccc32)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
BAFMUZIIILMECQ-LDBVRRDLSA-N- Molecular formula
- C23H21ClFNO6
- Average molar mass
- 461.9 g/mol
Names & identifiers
- Preferred name
- 3-(benzo[b]furan-5-yl-methyl)-4-chloro-5-fluoro-1-(beta-D-glucopyranosyl)indole
- IUPAC
- (2R,3R,4S,5S,6R)-2-[3-(1-benzofuran-5-ylmethyl)-4-chloro-5-fluoroindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
Names & synonyms
SCHEMBL1879252BAFMUZIIILMECQ-LDBVRRDLSA-N3-(benzo[b]furan-5-yl-methyl)-4-chloro-5-fluoro-1-(beta-D-glucopyranosyl)indole
Database identifiers
- PubChem CID
- 67197929
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 662
Related reactions
1 records
Compound notes
Loading…