Basic information
- Standard SMILES
COC(=O)c1cccc(S(=O)(=O)N(Cc2ccc(OC)cc2OC)c2nccs2)c1- InChIKey
WUQLRKANDGNHAU-UHFFFAOYSA-N- Molecular formula
- C20H20N2O6S2
- Average molar mass
- 448.5 g/mol
- Monoisotopic mass
- 448.07627871
Names & identifiers
- Preferred name
- Methyl 3-{[(2,4-dimethoxybenzyl)(1,3-thiazol-2-yl)amino]sulfonyl}benzoate
- IUPAC
- methyl 3-[(2,4-dimethoxyphenyl)methyl-(1,3-thiazol-2-yl)sulfamoyl]benzoate
Names & synonyms
SCHEMBL3165588WUQLRKANDGNHAU-UHFFFAOYSA-Nmethyl 3-{[(2,4-dimethoxybenzyl)(1,3-thiazol-2-yl)amino]sulfonyl}benzoate
Database identifiers
- PubChem CID
- 68535458
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 671
Related reactions
3 records
Compound notes
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