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<compound>
  <id type="integer">347828</id>
  <title nil="true"/>
  <common-name>Prop-2-enyl 2-[(3e)-2-(4-ethylphenyl)-3-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate</common-name>
  <description>Prop-2-enyl 2-[(3e)-2-(4-ethylphenyl)-3-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate is a chemical compound with the formula C28H25FN2O5S. With an average molecular weight of 520.60 g/mol, Prop-2-enyl 2-[(3e)-2-(4-ethylphenyl)-3-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate is a heavy molecule.</description>
  <cas>618072-69-8</cas>
  <pubchem-id>5854081</pubchem-id>
  <chemical-formula>C28H25FN2O5S</chemical-formula>
  <weight>520.6</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">2026-08-31T11:39:25Z</created-at>
  <updated-at type="dateTime">2026-08-31T11:39:25Z</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>CCC1=CC=C(C=C1)C2C(=C(C3=CC(=C(C=C3)C)F)O)C(=O)C(=O)N2C4=NC(=C(S4)C(=O)OCC=C)C</moldb-smiles>
  <moldb-formula>C28H25FN2O5S</moldb-formula>
  <moldb-inchi>InChI=1S/C28H25FN2O5S/c1-5-13-36-27(35)25-16(4)30-28(37-25)31-22(18-11-8-17(6-2)9-12-18)21(24(33)26(31)34)23(32)19-10-7-15(3)20(29)14-19/h5,7-12,14,22,32H,1,6,13H2,2-4H3/b23-21+</moldb-inchi>
  <moldb-inchikey>HEKAHEUNILSLSF-XTQSDGFTSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">520.1468212</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.4</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
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  <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>CHEM343721</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>Prop-2-enyl 2-[(3e)-2-(4-ethylphenyl)-3-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate</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>Pyrrolidines</klass>
  <subklass>Phenylpyrrolidines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0298165</sync-id>
  <structure-inchikey>HEKAHEUNILSLSF-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T05:46:23Z</structure-indexed-at>
</compound>
