Basic information
- Standard SMILES
COc1ccc(CN(c2nccs2)S(=O)(=O)c2ccc(C(=O)O)cc2F)c(OC)c1- InChIKey
XKYQXOBPYWCFAV-UHFFFAOYSA-N- Molecular formula
- C19H17FN2O6S2
- Average molar mass
- 452.5 g/mol
- Monoisotopic mass
- 452.05120678
Names & identifiers
- Preferred name
- 4-{[(2,4-Dimethoxybenzyl)(1,3-thiazol-2-yl)amino]sulfonyl}-3-fluorobenzoic acid
- IUPAC
- 4-[(2,4-dimethoxyphenyl)methyl-(1,3-thiazol-2-yl)sulfamoyl]-3-fluorobenzoic acid
Names & synonyms
SCHEMBL3166044XKYQXOBPYWCFAV-UHFFFAOYSA-N4-{[(2,4-Dimethoxybenzyl)(1,3-thiazol-2-yl)amino]sulfonyl}-3-fluorobenzoic acid
Database identifiers
- PubChem CID
- 68535595
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 691
Related reactions
3 records
Compound notes
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