4-{[(2,4-Dimethoxybenzyl)(1,3-thiazol-2-yl)amino]sulfonyl}benzoic acid

HCID 57731933
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Basic information

Standard SMILES
COc1ccc(CN(c2nccs2)S(=O)(=O)c2ccc(C(=O)O)cc2)c(OC)c1
InChIKey
CASSMZDIZOVHBJ-UHFFFAOYSA-N
Molecular formula
C19H18N2O6S2
Average molar mass
434.5 g/mol
Monoisotopic mass
434.06062865

Names & identifiers

Preferred name
4-{[(2,4-Dimethoxybenzyl)(1,3-thiazol-2-yl)amino]sulfonyl}benzoic acid
IUPAC
4-[(2,4-dimethoxyphenyl)methyl-(1,3-thiazol-2-yl)sulfamoyl]benzoic acid

Names & synonyms

SCHEMBL3117965CASSMZDIZOVHBJ-UHFFFAOYSA-N4-{[(2,4-Dimethoxybenzyl)(1,3-thiazol-2-yl)amino]sulfonyl}benzoic acid

Database identifiers

PubChem CID
57731933

Properties

Computed structural properties

XLogP
3
Topological polar surface area
143 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
8
Heavy atoms
29

Related reactions

7 records
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Compound notes

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