<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">329811</id>
  <title nil="true"/>
  <common-name>[4-bromo-2-[(e)-[(3-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate</common-name>
  <description>[4-bromo-2-[(e)-[(3-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate is a chemical compound with the formula C22H16BrClN2O4. It has an average molecular weight of 487.70 g/mol.</description>
  <cas>765274-38-2</cas>
  <pubchem-id>9621345</pubchem-id>
  <chemical-formula>C22H16BrClN2O4</chemical-formula>
  <weight>487.7</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">2026-08-30T10:14:16Z</created-at>
  <updated-at type="dateTime">2026-08-30T10:14:16Z</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=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C=NNC(=O)C3=CC(=CC=C3)Cl</moldb-smiles>
  <moldb-formula>C22H16BrClN2O4</moldb-formula>
  <moldb-inchi>InChI=1S/C22H16BrClN2O4/c1-29-19-8-5-14(6-9-19)22(28)30-20-10-7-17(23)11-16(20)13-25-26-21(27)15-3-2-4-18(24)12-15/h2-13H,1H3,(H,26,27)/b25-13+</moldb-inchi>
  <moldb-inchikey>CJSVHIKRAZHRMJ-DHRITJCHSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">485.9982</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.5</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>CHEM325704</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>[4-bromo-2-[(e)-[(3-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate</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>Phenylpropanoids and polyketides</superklass>
  <klass>Depsides and depsidones</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0280372</sync-id>
  <structure-inchikey>CJSVHIKRAZHRMJ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>200000000000040000400000000400880000000000000000000000202200000000000000000000000000000000000000002000000000200000000400000008002000000000020400000000300000204800000000200040000010000010040000080100000000400080000000040000000000000000001002040000000800000000000000084000000000000000000000000000000000000000000000000000000084000002000000000000000000000000000000080000000000000000000000100000000000010004000000040000200000000000000000000000000201040000000000400100000000020004080000000000000</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��h���h���h������ ��(��� �� ��(��� ��h���h���h���h���h������h���h���h�B����������������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:32:32Z</structure-indexed-at>
</compound>
