<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">335656</id>
  <title nil="true"/>
  <common-name>1-(7,8-dihydronaphtho[1,2-b][1]benzothiepin-7-yl)-4-methylpiperazine</common-name>
  <description>1-(7,8-dihydronaphtho[1,2-b][1]benzothiepin-7-yl)-4-methylpiperazine is a chemical compound with the formula C23H24N2S. It has an average molecular weight of 360.50 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>3043699</pubchem-id>
  <chemical-formula>C23H24N2S</chemical-formula>
  <weight>360.5</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">2026-08-30T17:51:58Z</created-at>
  <updated-at type="dateTime">2026-08-30T17:51:58Z</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>CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=CC5=CC=CC=C54</moldb-smiles>
  <moldb-formula>C23H24N2S</moldb-formula>
  <moldb-inchi>InChI=1S/C23H24N2S/c1-24-12-14-25(15-13-24)21-16-18-7-3-5-9-22(18)26-23-19-8-4-2-6-17(19)10-11-20(21)23/h2-11,21H,12-16H2,1H3</moldb-inchi>
  <moldb-inchikey>HOPWPSZVLQMMHI-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">360.16602</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>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>CHEM331549</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>1-(7,8-dihydronaphtho[1,2-b][1]benzothiepin-7-yl)-4-methylpiperazine</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>Benzothiepins</klass>
  <subklass>Dibenzothiepins</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0286125</sync-id>
  <structure-inchikey>HOPWPSZVLQMMHI-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>8020000000000000000000000000000000000000000000000510000010000000000000000000000020000000000000000040000200000000000000000000000000000000000000000000000000000000000000010000000000000000000000000000000000000000000000000000000000000020100040000000800000000101001000040080001800080000000004000000000000100000000080000000000000000008000000000040000080001000000000000000000008000000000000000000000040000000000000000000000000000000008000000800200000000000000000000000003000040000000000000000000000020000000000000000008</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAaAAAAHgAAAIABBgBgAAAAAQMHACAAAAAD
BgBgAAAAAgIGAGAAAAACAgcAIAAAAAMGAGAAAAACAgYAYAAAAAICBgBgAAAA
AwEGAGAAAAACAgZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMB
BkBoAAAAAwMBBkAoAAAAAwQQACAAAAACBkAoAAAAAwQGQCgAAAADBAZAaAAA
AAMDAQZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAA
AwMBBkBoAAAAAwMBBkAoAAAAAwQLAAEAAQIAAgMAAwQABAUABQYABAcABwgA
CAkACQpoDAoLaAwLDGgMDA1oDA0OaAwODwAPEAAQEWgMERJoDBITaAwTFGgM
FBVoDBUWaAwWF2gMFxhoDBgZaAwGAQARBwAOCWgMGRBoDBkUaAxCBQAAAAYB
BgUEAwIHCAcREA8OCQYKCwwNDgkGEhMUGRARBhUWFxgZFBcEAAAAAAAAABY=
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:37:20Z</structure-indexed-at>
</compound>
