<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">346218</id>
  <title nil="true"/>
  <common-name>2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-n-[(e)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide</common-name>
  <description>2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-n-[(e)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide is a compound with the formula C27H25I2N5O2S. With an average molecular weight of 737.40 g/mol, 2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-n-[(e)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide is a heavy molecule.</description>
  <cas>303107-26-8</cas>
  <pubchem-id>135679401</pubchem-id>
  <chemical-formula>C27H25I2N5O2S</chemical-formula>
  <weight>737.4</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">2026-08-31T09:36:23Z</created-at>
  <updated-at type="dateTime">2026-08-31T09:36:23Z</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>CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NN=CC4=C(C(=CC(=C4)I)I)O</moldb-smiles>
  <moldb-formula>C27H25I2N5O2S</moldb-formula>
  <moldb-inchi>InChI=1S/C27H25I2N5O2S/c1-27(2,3)19-11-9-17(10-12-19)25-32-33-26(34(25)21-7-5-4-6-8-21)37-16-23(35)31-30-15-18-13-20(28)14-22(29)24(18)36/h4-15,36H,16H2,1-3H3,(H,31,35)/b30-15+</moldb-inchi>
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  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">736.98184</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>7.2</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
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  <structure-image-content-type nil="true"/>
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  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM342111</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-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-n-[(e)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]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 nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0296571</sync-id>
  <structure-inchikey>DXTTZOARWJODSF-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>404000200000808000002800000000008000000000600000000000000000000020000002000004008000002084800000000000000000000000200000000000000000000002000000000000000020040000000200000004000010000000000000010000000000000080100000800000080100100040000000000000000000004040000000800000000000000080880000010100000000000000000000000002000000001000000000080000000040000000400000000000002c0000000000080000400020202000000000000040000000000000a000000200000000000000000040000000001048000000000400000000010000000040000000000000</structure-fingerprint>
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  <structure-indexed-at type="dateTime">2026-09-19T05:45:01Z</structure-indexed-at>
</compound>
