<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">346633</id>
  <title nil="true"/>
  <common-name>3-[2-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]anilino]-3h-2-benzofuran-1-one</common-name>
  <description>3-[2-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]anilino]-3h-2-benzofuran-1-one is a chemical compound with the formula C27H29N3O2. It has an average molecular weight of 427.50 g/mol.</description>
  <cas>90494-53-4</cas>
  <pubchem-id>3021705</pubchem-id>
  <chemical-formula>C27H29N3O2</chemical-formula>
  <weight>427.5</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">2026-08-31T10:08:28Z</created-at>
  <updated-at type="dateTime">2026-08-31T10:08:28Z</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>CC1=CC=CC=C1N2CCN(CC2)CCC3=CC=CC=C3NC4C5=CC=CC=C5C(=O)O4</moldb-smiles>
  <moldb-formula>C27H29N3O2</moldb-formula>
  <moldb-inchi>InChI=1S/C27H29N3O2/c1-20-8-2-7-13-25(20)30-18-16-29(17-19-30)15-14-21-9-3-6-12-24(21)28-26-22-10-4-5-11-23(22)27(31)32-26/h2-13,26,28H,14-19H2,1H3</moldb-inchi>
  <moldb-inchikey>FGTKAMAKBPKOGI-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">427.2259772</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>CHEM342526</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-[2-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]anilino]-3h-2-benzofuran-1-one</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>Diazinanes</klass>
  <subklass>Piperazines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0296986</sync-id>
  <structure-inchikey>FGTKAMAKBPKOGI-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2080000000000000000000000000000000002001000000000000000000002000000000800010000000010000000000004000000000000000000000000000000000010000800000002080000000000000000000000200000000001000000000000000000200000000000002010000000000008000000010100000004000000080000000000000408000000000010000008000100000000000010000001000000400000008010000000100000000000000a000000800000001005000000004040000000000010000000000008000002000000200000000010000000000000000000040000000000000000400000000000001000000000100</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAgAAAAJAAAAIABBgBgAAAAAQMGQCgAAAAD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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:45:19Z</structure-indexed-at>
</compound>
