347947 <common-name>Methyl 2-[(3e)-2-(4-butoxyphenyl)-3-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate</common-name> <description>Methyl 2-[(3e)-2-(4-butoxyphenyl)-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 C28H27FN2O6S. With an average molecular weight of 538.60 g/mol, Methyl 2-[(3e)-2-(4-butoxyphenyl)-3-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate is a heavy molecule.</description> <cas>618072-64-3</cas> <pubchem-id>5905217</pubchem-id> <chemical-formula>C28H27FN2O6S</chemical-formula> <weight>538.6</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">2026-08-31T11:48:24Z</created-at> <updated-at type="dateTime">2026-08-31T11:48:24Z</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>CCCCOC1=CC=C(C=C1)C2C(=C(C3=CC(=C(C=C3)C)F)O)C(=O)C(=O)N2C4=NC(=C(S4)C(=O)OC)C</moldb-smiles> <moldb-formula>C28H27FN2O6S</moldb-formula> <moldb-inchi>InChI=1S/C28H27FN2O6S/c1-5-6-13-37-19-11-9-17(10-12-19)22-21(23(32)18-8-7-15(2)20(29)14-18)24(33)26(34)31(22)28-30-16(3)25(38-28)27(35)36-4/h7-12,14,22,32H,5-6,13H2,1-4H3/b23-21+</moldb-inchi> <moldb-inchikey>ZJJKGNPRIOREMH-XTQSDGFTSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">538.1573859</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.2</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>CHEM343840</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>Methyl 2-[(3e)-2-(4-butoxyphenyl)-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>CED0298283</sync-id> <structure-inchikey>ZJJKGNPRIOREMH-UHFFFAOYSA-N</structure-inchikey> 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