<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">334345</id>
  <title nil="true"/>
  <common-name>[4-[(e)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-bromobenzoate</common-name>
  <description>[4-[(e)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-bromobenzoate is a chemical compound with the formula C23H18BrClN2O5. With an average molecular weight of 517.80 g/mol, [4-[(e)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-bromobenzoate is a heavy molecule.</description>
  <cas>339299-88-6</cas>
  <pubchem-id>9599519</pubchem-id>
  <chemical-formula>C23H18BrClN2O5</chemical-formula>
  <weight>517.8</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">2026-08-30T16:00:11Z</created-at>
  <updated-at type="dateTime">2026-08-30T16:00:11Z</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)C=NNC(=O)COC2=CC=C(C=C2)Cl)OC(=O)C3=CC(=CC=C3)Br</moldb-smiles>
  <moldb-formula>C23H18BrClN2O5</moldb-formula>
  <moldb-inchi>InChI=1S/C23H18BrClN2O5/c1-30-21-11-15(5-10-20(21)32-23(29)16-3-2-4-17(24)12-16)13-26-27-22(28)14-31-19-8-6-18(25)7-9-19/h2-13H,14H2,1H3,(H,27,28)/b26-13+</moldb-inchi>
  <moldb-inchikey>CFZMKHKYDGFLCR-LGJNPRDNSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">516.00876</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.6</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>CHEM330238</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-[(e)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-bromobenzoate</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>CED0284823</sync-id>
  <structure-inchikey>CFZMKHKYDGFLCR-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40004000000000800202000000000040000000000080000880000000400000000002000602200000000000000000000000000000000000040004000000000000000000400000000000000000000020000000000300000204800000000200000000010080000040000080100000000400080200000000000000000000000001000040020000800000000000000090000000000000000000000400000000000000000000000010000000084000000000000000080000000000000000000080000000000000000000000100000000000010000000000040000200000000000000000008000000001048010000000400000000000020004000080000004000</structure-fingerprint>
  <structure-pattern-fingerprint>5010801005328e44810019408128b800000014008305200000b520c08224084c4c020814108000000000410800800002046002a4c08d32210024643104a04010c6110c001280061800901020007203000004058051013b3240000462400049000c20052f0048820040041400d5b4004d208280500925e90439b8000002510002104400180ef0820808060250c82c0018391d0a1244401c825004082060408080804730901090c00080000960017c37100ac000008941084010000a1008c00210800002a40480003201808404540502900c000000420050000d6000000800030090004010088100041100000350922002005000308042040e0000108050000206</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">2026-09-19T05:36:12Z</structure-indexed-at>
</compound>
