<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">330333</id>
  <title nil="true"/>
  <common-name>2-[(2z)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl]-1-phenothiazin-10-ylethanone</common-name>
  <description>2-[(2z)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl]-1-phenothiazin-10-ylethanone is a chemical compound with the formula C22H18N4O3S. It has an average molecular weight of 418.50 g/mol.</description>
  <cas>68026-83-5</cas>
  <pubchem-id>6509959</pubchem-id>
  <chemical-formula>C22H18N4O3S</chemical-formula>
  <weight>418.5</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">2026-08-30T10:51:01Z</created-at>
  <updated-at type="dateTime">2026-08-30T10:51:01Z</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(=NNCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)C4=CC=C(C=C4)[N+](=O)[O-]</moldb-smiles>
  <moldb-formula>C22H18N4O3S</moldb-formula>
  <moldb-inchi>InChI=1S/C22H18N4O3S/c1-15(16-10-12-17(13-11-16)26(28)29)24-23-14-22(27)25-18-6-2-4-8-20(18)30-21-9-5-3-7-19(21)25/h2-13,23H,14H2,1H3/b24-15-</moldb-inchi>
  <moldb-inchikey>DWCBKJQIXBYLHV-IWIPYMOSSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">418.1099616</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.8</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>CHEM326226</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-[(2z)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl]-1-phenothiazin-10-ylethanone</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>Benzothiazines</klass>
  <subklass>Phenothiazines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0280883</sync-id>
  <structure-inchikey>DWCBKJQIXBYLHV-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>8000810000000000000000000000000000000000000000000000000000000000000010000000001000040000000000000004000000000000010000000000000000000000000000000020000010000008001004000000400040000000010000000200000000000000000004000108040000000000000040400000000040000000800000000000000080000000001100000000000000000020000100400000000000000000084000000000000080000000000000000000000000000000000040000000000000010000000000004000000000000210000000002000420000000000000040000000000400000000001000008000000000000008</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������� *��������(������ *���ÿ��������(��� ��������(��� �� �	h�	
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���������������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:32:54Z</structure-indexed-at>
</compound>
