<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">345906</id>
  <title nil="true"/>
  <common-name>[4-bromo-2-[(e)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate</common-name>
  <description>[4-bromo-2-[(e)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate is a chemical compound with the formula C27H21BrN2O4. With an average molecular weight of 517.40 g/mol, [4-bromo-2-[(e)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>9636563</pubchem-id>
  <chemical-formula>C27H21BrN2O4</chemical-formula>
  <weight>517.4</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">2026-08-31T08:58:58Z</created-at>
  <updated-at type="dateTime">2026-08-31T08:58:58Z</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=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C=NNC(=O)C3=CC=CC4=CC=CC=C43</moldb-smiles>
  <moldb-formula>C27H21BrN2O4</moldb-formula>
  <moldb-inchi>InChI=1S/C27H21BrN2O4/c1-2-33-22-13-10-19(11-14-22)27(32)34-25-15-12-21(28)16-20(25)17-29-30-26(31)24-9-5-7-18-6-3-4-8-23(18)24/h3-17H,2H2,1H3,(H,30,31)/b29-17+</moldb-inchi>
  <moldb-inchikey>MAZNAAJWRTXPNE-STBIYBPSSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">516.06847</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.5</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>CHEM341799</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)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate</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>CED0296260</sync-id>
  <structure-inchikey>MAZNAAJWRTXPNE-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400800202000000000040000000000000400800000400000000000002000202200000000000000000000000000000000000000002000000000000000000000000000002000000000020400000000300000204800000000200000000410000000000000080100000000400080000000040000000000000000001002040000001800080000000000084000000000100000000020100000000000000000000000000040040084000000000000001080000000000000000000000000000040000000000000100000000000000004000000040000200000000000000000000000001001040000000000400100000000020000180000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAiAAAAJQAAAIABBgBgAAAAAQMGAGAAAAAC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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:44:48Z</structure-indexed-at>
</compound>
