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<compound>
  <id type="integer">347993</id>
  <title nil="true"/>
  <common-name>2-[[5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-n-(2,6-dichlorophenyl)acetamide</common-name>
  <description>2-[[5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-n-(2,6-dichlorophenyl)acetamide is a chemical compound with the formula C28H28Cl2N4O2S. With an average molecular weight of 555.50 g/mol, 2-[[5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-n-(2,6-dichlorophenyl)acetamide is a heavy molecule.</description>
  <cas>539808-79-2</cas>
  <pubchem-id>5160909</pubchem-id>
  <chemical-formula>C28H28Cl2N4O2S</chemical-formula>
  <weight>555.5</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">2026-08-31T11:51:39Z</created-at>
  <updated-at type="dateTime">2026-08-31T11:51:39Z</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=CC=CC=C1N2C(=NN=C2SCC(=O)NC3=C(C=CC=C3Cl)Cl)COC4=CC=C(C=C4)C(C)(C)C</moldb-smiles>
  <moldb-formula>C28H28Cl2N4O2S</moldb-formula>
  <moldb-inchi>InChI=1S/C28H28Cl2N4O2S/c1-18-8-5-6-11-23(18)34-24(16-36-20-14-12-19(13-15-20)28(2,3)4)32-33-27(34)37-17-25(35)31-26-21(29)9-7-10-22(26)30/h5-15H,16-17H2,1-4H3,(H,31,35)</moldb-inchi>
  <moldb-inchikey>RPFGFTBJBUHWDA-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">554.1310027</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>7.6</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>CHEM343886</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-[[5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-n-(2,6-dichlorophenyl)acetamide</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>Azoles</klass>
  <subklass>Triazoles</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0298329</sync-id>
  <structure-inchikey>RPFGFTBJBUHWDA-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>404000000000800002002800000000000000000000000000000000000000000000000002200004000002002480800000000000000000000000000000000000000000400000000100000000000022000000000104000200000050000000000000010000000000000000000800000000000100000000020000000000000001000040000000800000004002000080080000000100000000000000000000000100000000001000000000080100010040000000490000000000002400000000000800000000000001000000010000400010010000002010000200000000000000008000000000000040000000000400000000010000000041000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
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  <structure-indexed-at type="dateTime">2026-09-19T05:46:31Z</structure-indexed-at>
</compound>
