<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">346039</id>
  <title nil="true"/>
  <common-name>[3-[(e)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate</common-name>
  <description>[3-[(e)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate is a chemical compound with the formula C27H22N2O4. It has an average molecular weight of 438.50 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>9633737</pubchem-id>
  <chemical-formula>C27H22N2O4</chemical-formula>
  <weight>438.5</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">2026-08-31T09:17:46Z</created-at>
  <updated-at type="dateTime">2026-08-31T09:17:46Z</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=CC=CC(=C2)C=NNC(=O)CC3=CC=CC4=CC=CC=C43</moldb-smiles>
  <moldb-formula>C27H22N2O4</moldb-formula>
  <moldb-inchi>InChI=1S/C27H22N2O4/c1-32-23-14-12-21(13-15-23)27(31)33-24-10-4-6-19(16-24)18-28-29-26(30)17-22-9-5-8-20-7-2-3-11-25(20)22/h2-16,18H,17H2,1H3,(H,29,30)/b28-18+</moldb-inchi>
  <moldb-inchikey>WLFBEGCFASOPHY-MTDXEUNCSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">438.1579572</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.4</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>CHEM341932</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>[3-[(e)-[(2-naphthalen-1-ylacetyl)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>CED0296393</sync-id>
  <structure-inchikey>WLFBEGCFASOPHY-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000008000000000000000400000000000000008000000000100000000000004022400000000000000000000000000000000102000000000000000000000102000000000020000000000600000000003000002040000000000000400000100000100400000a0100000000000480000000000000000000000000001000040000001800080000000000090000000000100000000000000000000000000000000000004440000084000000000000000000000000000000000000080000000040000040000000000000000000000004000000040000200000000000000000000000001001048000000000400000000000000000000000000004000</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���h���h���h���h�� h���h���h� �h� �h�B���������������������� ������ �����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:44:53Z</structure-indexed-at>
</compound>
