<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">348966</id>
  <title nil="true"/>
  <common-name>(2z)-2-[[3-(4-ethoxy-3-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione</common-name>
  <description>(2z)-2-[[3-(4-ethoxy-3-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is a chemical compound with the formula C29H20FN5O3S. With an average molecular weight of 537.60 g/mol, (2z)-2-[[3-(4-ethoxy-3-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is a heavy molecule.</description>
  <cas>624723-93-9</cas>
  <pubchem-id>2060198</pubchem-id>
  <chemical-formula>C29H20FN5O3S</chemical-formula>
  <weight>537.6</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">2026-08-31T13:16:32Z</created-at>
  <updated-at type="dateTime">2026-08-31T13:16:32Z</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>CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=O)C(=N4)C5=CC=CC=C5)S3)C6=CC=CC=C6)F</moldb-smiles>
  <moldb-formula>C29H20FN5O3S</moldb-formula>
  <moldb-inchi>InChI=1S/C29H20FN5O3S/c1-2-38-23-14-13-19(15-22(23)30)25-20(17-34(32-25)21-11-7-4-8-12-21)16-24-28(37)35-29(39-24)31-27(36)26(33-35)18-9-5-3-6-10-18/h3-17H,2H2,1H3/b24-16-</moldb-inchi>
  <moldb-inchikey>IGKJDFRWOYKWPX-JLPGSUDCSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">537.1270889</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.9</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>CHEM344859</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>(2z)-2-[[3-(4-ethoxy-3-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione</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>Pyrazoles</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0299293</sync-id>
  <structure-inchikey>IGKJDFRWOYKWPX-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>80008002000000000200000020000000000000000004000000000040020100201000000040000020040000080040000000008500000000800000000000000000000000000000000000200000100003100000000080000000000000000000000000080000001000008000090001000080400000000000000000000040c0000000800000000000000000800000000100000000020000000000001200000020000000000000080000000000000400090000020200040000000000000000000000000000200000004000000000000000000000000200000000000000000040008001000040000000000400800040080020000000000202000000</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�������@h������	� ������������� ��h���h���h���h���h��	 	
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	�����������������������!"#$% ����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:47:10Z</structure-indexed-at>
</compound>
