<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">346078</id>
  <title nil="true"/>
  <common-name>Prop-2-enyl 2-[(3e)-3-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-2-(3-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate</common-name>
  <description>Prop-2-enyl 2-[(3e)-3-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-2-(3-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate is a chemical compound with the formula C27H23FN2O6S. With an average molecular weight of 522.50 g/mol, Prop-2-enyl 2-[(3e)-3-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-2-(3-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>5939595</pubchem-id>
  <chemical-formula>C27H23FN2O6S</chemical-formula>
  <weight>522.5</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">2026-08-31T09:24:01Z</created-at>
  <updated-at type="dateTime">2026-08-31T09:24:01Z</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>CC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OCC=C)C)C4=CC(=CC=C4)OC)O)F</moldb-smiles>
  <moldb-formula>C27H23FN2O6S</moldb-formula>
  <moldb-inchi>InChI=1S/C27H23FN2O6S/c1-5-11-36-26(34)24-15(3)29-27(37-24)30-21(16-7-6-8-18(12-16)35-4)20(23(32)25(30)33)22(31)17-10-9-14(2)19(28)13-17/h5-10,12-13,21,31H,1,11H2,2-4H3/b22-20+</moldb-inchi>
  <moldb-inchikey>QDMRHKDOBBZCNM-LSDHQDQOSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">522.1260858</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.5</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>CHEM341971</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)-3-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-2-(3-methoxyphenyl)-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>CED0296432</sync-id>
  <structure-inchikey>QDMRHKDOBBZCNM-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400800800800000000000050002010000000000000000000000000000000000020200000000000002004008000000000000000010000000000000000000000200000020000000000000020000010000310000000000000000000041000010000000440000000110000000010001108000000000000001000101021000040000000800000440000000000000000000000000000000020000101000000000000000000008200084100000008100000000000080000000000000080000040000000004000000000040001000000104000002000000200000000000000000200008001000040000000000420800000100008240000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAlAAAAKAAAAIABBgBgAAAAAQMGQCgAAAAD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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:44:55Z</structure-indexed-at>
</compound>
