<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">337902</id>
  <title nil="true"/>
  <common-name>2-[[4-benzyl-5-[(4-bromophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-n-(2,4,6-trichlorophenyl)acetamide</common-name>
  <description>2-[[4-benzyl-5-[(4-bromophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-n-(2,4,6-trichlorophenyl)acetamide is a chemical compound with the formula C24H18BrCl3N4O2S. With an average molecular weight of 612.80 g/mol, 2-[[4-benzyl-5-[(4-bromophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-n-(2,4,6-trichlorophenyl)acetamide is a heavy molecule.</description>
  <cas>538336-99-1</cas>
  <pubchem-id>4989985</pubchem-id>
  <chemical-formula>C24H18BrCl3N4O2S</chemical-formula>
  <weight>612.8</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">2026-08-30T20:52:56Z</created-at>
  <updated-at type="dateTime">2026-08-30T20:52:56Z</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>C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3Cl)Cl)Cl)COC4=CC=C(C=C4)Br</moldb-smiles>
  <moldb-formula>C24H18BrCl3N4O2S</moldb-formula>
  <moldb-inchi>InChI=1S/C24H18BrCl3N4O2S/c25-16-6-8-18(9-7-16)34-13-21-30-31-24(32(21)12-15-4-2-1-3-5-15)35-14-22(33)29-23-19(27)10-17(26)11-20(23)28/h1-11H,12-14H2,(H,29,33)</moldb-inchi>
  <moldb-inchikey>YYWJVCOKLFIBSU-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">609.93994</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.8</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>CHEM333795</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-[[4-benzyl-5-[(4-bromophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-n-(2,4,6-trichlorophenyl)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>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Anilides</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0288331</sync-id>
  <structure-inchikey>YYWJVCOKLFIBSU-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000000800002000800000000000000000000000080000000000000000000000002200104000002002484000000000000000000000000000000000000000000400000000000000000000022000000000100000200800050000000000000210000000000000000100800000400000100000000000000000000000000000000200000800000004000010084080000000100400000000000000000000000000000000000000000080000000000000000490000000000002000000000040000000000000001000100004000000010000000000010001220040000000000008000000004000040000000000400000000010000000000000000000080</structure-fingerprint>
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  <structure-indexed-at type="dateTime">2026-09-19T05:38:50Z</structure-indexed-at>
</compound>
