Basic information
- Standard SMILES
Cc1c(Br)c2ccc(F)cc2n1S(=O)(=O)c1ncn(C2OC(C(=O)O)C(O)C(O)C2O)n1- InChIKey
HEHNXBYONKNFDN-UHFFFAOYSA-N- Molecular formula
- C17H16BrFN4O8S
- Average molar mass
- 535.3 g/mol
- Monoisotopic mass
- 533.98563
Names & identifiers
- Preferred name
- 3-Bromo-6-fluoro-1-[(1-hexopyranuronosyl-1H-1,2,4-triazol-3-yl)sulfonyl]-2-methyl-1H-indole
- IUPAC
- 6-[3-(3-bromo-6-fluoro-2-methylindol-1-yl)sulfonyl-1,2,4-triazol-1-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid
Names & synonyms
DTXSID8013537693-Bromo-6-fluoro-1-[(1-hexopyranuronosyl-1H-1,2,4-triazol-3-yl)sulfonyl]-2-methyl-1H-indole
Database identifiers
- PubChem CID
- 177840586
- DTXSID
DTXSID801353769
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 185 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 836
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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