Basic information
- CAS
1063733-19-6- Standard SMILES
COC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(OC)cc2OC)c2nccs2)cc1F- InChIKey
ILFZTDMWCSAMNT-UHFFFAOYSA-N- Molecular formula
- C20H19FN2O6S2
- Average molar mass
- 466.5 g/mol
- Monoisotopic mass
- 466.06685655
Names & identifiers
- Preferred name
- Methyl 4-{[(2,4-dimethoxybenzyl)(1,3-thiazol-2-yl)amino]sulfonyl}-2-fluorobenzoate
- IUPAC
- methyl 4-[(2,4-dimethoxyphenyl)methyl-(1,3-thiazol-2-yl)sulfamoyl]-2-fluorobenzoate
Names & synonyms
SCHEMBL3123476ILFZTDMWCSAMNT-UHFFFAOYSA-NDTXSID001129429Methyl 4-{[(2,4-dimethoxybenzyl)(1,3-thiazol-2-yl)amino]sulfonyl}-2-fluorobenzoate1063733-19-6Methyl 4-[[[(2,4-dimethoxyphenyl)methyl]-2-thiazolylamino]sulfonyl]-2-fluorobenzoateMethyl 4-{[(2,4-dimethoxyphenyl)methyl](1,3-thiazol-2-yl)sulfamoyl}-2-fluorobenzoate
Database identifiers
- CAS
1063733-19-6- PubChem CID
- 57732244
- DTXSID
DTXSID001129429
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 706
Related reactions
5 records
Compound notes
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