329989 <common-name>[4-[(e)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]-2-methoxyphenyl] 3-bromobenzoate</common-name> <description>[4-[(e)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]-2-methoxyphenyl] 3-bromobenzoate is a chemical compound with the formula C22H17BrFN3O3S. With an average molecular weight of 502.40 g/mol, [4-[(e)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]-2-methoxyphenyl] 3-bromobenzoate is a heavy molecule.</description> <cas>767307-86-8</cas> <pubchem-id>45054904</pubchem-id> <chemical-formula>C22H17BrFN3O3S</chemical-formula> <weight>502.4</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">2026-08-30T10:26:44Z</created-at> <updated-at type="dateTime">2026-08-30T10:26:44Z</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>COC1=C(C=CC(=C1)C=NNC(=S)NC2=CC=C(C=C2)F)OC(=O)C3=CC(=CC=C3)Br</moldb-smiles> <moldb-formula>C22H17BrFN3O3S</moldb-formula> <moldb-inchi>InChI=1S/C22H17BrFN3O3S/c1-29-20-11-14(13-25-27-22(31)26-18-8-6-17(24)7-9-18)5-10-19(20)30-21(28)15-3-2-4-16(23)12-15/h2-13H,1H3,(H2,26,27,31)/b25-13+</moldb-inchi> <moldb-inchikey>OWOKTPCUASTHJL-DHRITJCHSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">501.0158</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.3</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>CHEM325882</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>[4-[(e)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]-2-methoxyphenyl] 3-bromobenzoate</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>Phenylpropanoids and polyketides</superklass> <klass>Depsides and depsidones</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0280546</sync-id> <structure-inchikey>OWOKTPCUASTHJL-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000002240020000000040000000000100000800000000400000000002000602000000000000000000000000000000000000040004000000000000000000000000000000000000000020000000000330000004800000000200000000010000000050000080100000000400080200000000000000000000000001000040000400800000000000000090000000000000000000000400000000000000000000000000000000084000002000000800000040000000000000000080000000000000000000000100000000020000000000000040000200000000000000008008000000001040000000000400800000008020004000000000004000</structure-fingerprint> 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