320504 <common-name>2-[2-[(e)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-(4-bromophenyl)-1,3-thiazol-5-yl]acetic acid</common-name> <description>2-[2-[(e)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-(4-bromophenyl)-1,3-thiazol-5-yl]acetic acid is a compound with the chemical formula C20H14BrNO4S. It has an average molecular weight of 444.30 g/mol.</description> <cas>116759-27-4</cas> <pubchem-id>6450687</pubchem-id> <chemical-formula>C20H14BrNO4S</chemical-formula> <weight>444.3</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-29T19:26:31Z</created-at> <updated-at type="dateTime">2026-08-29T19:26:31Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>C1OC2=C(O1)C=C(C=C2)C=CC3=NC(=C(S3)CC(=O)O)C4=CC=C(C=C4)Br</moldb-smiles> <moldb-formula>C20H14BrNO4S</moldb-formula> <moldb-inchi>InChI=1S/C20H14BrNO4S/c21-14-5-3-13(4-6-14)20-17(10-19(23)24)27-18(22-20)8-2-12-1-7-15-16(9-12)26-11-25-15/h1-9H,10-11H2,(H,23,24)/b8-2+</moldb-inchi> <moldb-inchikey>RMPFRTXUKWXCBY-KRXBUXKQSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">442.98269</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.9</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM316397</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>2-[2-[(e)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-(4-bromophenyl)-1,3-thiazol-5-yl]acetic acid</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Benzodioxoles</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0271246</sync-id> <structure-inchikey>RMPFRTXUKWXCBY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000800000000000000000002000000000000000000000000000000000000000140000000000002004000000040000400000010000000000000000000000000000800000000000000020800010000200000000802000000000000001010000001000000000100000808420020000000000000000000000000010000000000000000000000000000004804000000000000000000000000000004000000000000004000000080000000000000000000000000000000000000000000000000000000000000100014000000000000000000100402200000000000080000000000001010040000000400400000000000000080000400000004040</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAbAAAAHgAAAIABBgBgAAAAAgIIACgAAAAD AgZAKAAAAAMEBkAoAAAAAwQIACgAAAADAgZAaAAAAAMDAQZAKAAAAAMEBkBo AAAAAwMBBkBoAAAAAwMBBgBoAAAAAwMBBgBoAAAAAwMBBkAoAAAAAwQHQCgA AAADAwZAKAAAAAMEBkAoAAAAAwQQQCgAAAADAgYAYAAAAAICBgAoAAAAAwQI ACgAAAADAggAaAAAAAMBAQZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkAo AAAAAwQGQGgAAAADAwEGQGgAAAADAwEjACAAAAABCwABAAECIAIDaAwDBCAD BWgMBQZoDAYHaAwHCGgMBgkgCQooAgoLIAsMaAwMDWgMDQ5oDA4PaAwOEAAQ EQAREigCERMgDRQgFBVoDBUWaAwWF2gMFxhoDBgZaAwXGgAEAAAIAmgMDwto DBkUaAxCBAAAAAUAAQIDBAYFBgcIAgMFDAsPDg0GFRYXGBkUFwQAAAAAAAAA Fg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:25:38Z</structure-indexed-at> </compound>