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<compound>
  <id type="integer">344830</id>
  <title nil="true"/>
  <common-name>2-methoxyethyl (2z)-2-[[4-(diethylamino)phenyl]methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5h-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate</common-name>
  <description>2-methoxyethyl (2z)-2-[[4-(diethylamino)phenyl]methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5h-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has the chemical formula C26H29N3O4S2. With an average molecular weight of 511.70 g/mol, 2-methoxyethyl (2z)-2-[[4-(diethylamino)phenyl]methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5h-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is a heavy molecule.</description>
  <cas>618072-25-6</cas>
  <pubchem-id>5940395</pubchem-id>
  <chemical-formula>C26H29N3O4S2</chemical-formula>
  <weight>511.7</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">2026-08-31T07:01:29Z</created-at>
  <updated-at type="dateTime">2026-08-31T07:01:29Z</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>CCN(CC)C1=CC=C(C=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCCOC)C4=CC=CS4</moldb-smiles>
  <moldb-formula>C26H29N3O4S2</moldb-formula>
  <moldb-inchi>InChI=1S/C26H29N3O4S2/c1-5-28(6-2)19-11-9-18(10-12-19)16-21-24(30)29-23(20-8-7-15-34-20)22(17(3)27-26(29)35-21)25(31)33-14-13-32-4/h7-12,15-16,23H,5-6,13-14H2,1-4H3/b21-16-</moldb-inchi>
  <moldb-inchikey>CBGBLBWVNWCXNA-PGMHBOJBSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">511.1599488</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.5</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>CHEM340723</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-methoxyethyl (2z)-2-[[4-(diethylamino)phenyl]methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5h-[1,3]thiazolo[3,2-a]pyrimidine-6-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>Organic nitrogen compounds</superklass>
  <klass>Organonitrogen compounds</klass>
  <subklass>Amines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0295193</sync-id>
  <structure-inchikey>CBGBLBWVNWCXNA-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>60040000000000000800000000004000050002000480000000000000040000000004002000020000000000000002100000001000000000000000002000080000000000000000000000000000000000060080014000300000000000000000000000000010000000048000000004004000000010900000080000000000400100000000040000400808000000000000000004000200000000000001000000800000000000040000000000000080000000000100000000000000100000080000000000001000400800000000000000000000001000000002020000200000400004800000000000000000040000000000400000000000000000002000002004001</structure-fingerprint>
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  <structure-indexed-at type="dateTime">2026-09-19T05:44:03Z</structure-indexed-at>
</compound>
