<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">320962</id>
  <title nil="true"/>
  <common-name>2-methoxy-n-[[4-(trifluoromethyl)phenyl]methyl]-4-[(1,2,4-trioxo-1,3-thiazolidin-5-yl)methyl]benzamide</common-name>
  <description>2-methoxy-n-[[4-(trifluoromethyl)phenyl]methyl]-4-[(1,2,4-trioxo-1,3-thiazolidin-5-yl)methyl]benzamide is a chemical compound with the formula C20H17F3N2O5S. It has an average molecular weight of 454.40 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>154699737</pubchem-id>
  <chemical-formula>C20H17F3N2O5S</chemical-formula>
  <weight>454.4</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">2026-08-29T20:08:15Z</created-at>
  <updated-at type="dateTime">2026-08-29T20:08:15Z</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>COC1=C(C=CC(=C1)CC2C(=O)NC(=O)S2=O)C(=O)NCC3=CC=C(C=C3)C(F)(F)F</moldb-smiles>
  <moldb-formula>C20H17F3N2O5S</moldb-formula>
  <moldb-inchi>InChI=1S/C20H17F3N2O5S/c1-30-15-8-12(9-16-18(27)25-19(28)31(16)29)4-7-14(15)17(26)24-10-11-2-5-13(6-3-11)20(21,22)23/h2-8,16H,9-10H2,1H3,(H,24,26)(H,25,27,28)</moldb-inchi>
  <moldb-inchikey>KEOXSUOAVNEEMC-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">454.0810273</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.4</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>CHEM316855</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-methoxy-n-[[4-(trifluoromethyl)phenyl]methyl]-4-[(1,2,4-trioxo-1,3-thiazolidin-5-yl)methyl]benzamide</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>Benzoic acids and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0271688</sync-id>
  <structure-inchikey>KEOXSUOAVNEEMC-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>1000800000002000000000000000020004000000000000410000000000000220000000000000000100000000000000010020000402000000000000000000000000000000000000020020000000000100000000000000000000000000014400000041000000100001000000000000000000000000000000101020000048000000000000200000000080000000000000000000000002080000000000000400000040000000080000800040000000040000080000000000000080000000040000010000000000001000400000000000000000000220010000000000000000000000000044000000004400800000000020000100000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ��������������������!���€���`�������(������@(������@(������@h�������@h�������@(������@h��������`�������`�������(�������(�������h��������(�������(������� ������(�������(�������(�������h��������`������@(������@h�������@h�������@(������@h�������@h�������� ����	� ����	� ����	� ���������� ��h���h���h���h���h�����	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:25:57Z</structure-indexed-at>
</compound>
