<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">323115</id>
  <title nil="true"/>
  <common-name>1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfonyl)piperazine</common-name>
  <description>1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfonyl)piperazine is a chemical compound with the formula C20H24N2O2S. It has an average molecular weight of 356.50 g/mol.</description>
  <cas>67351-14-8</cas>
  <pubchem-id>3051226</pubchem-id>
  <chemical-formula>C20H24N2O2S</chemical-formula>
  <weight>356.5</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">2026-08-29T23:42:06Z</created-at>
  <updated-at type="dateTime">2026-08-29T23:42:06Z</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)S(=O)(=O)C2C3=CC=CC=C3CCC4=CC=CC=C24</moldb-smiles>
  <moldb-formula>C20H24N2O2S</moldb-formula>
  <moldb-inchi>InChI=1S/C20H24N2O2S/c1-21-12-14-22(15-13-21)25(23,24)20-18-8-4-2-6-16(18)10-11-17-7-3-5-9-19(17)20/h2-9,20H,10-15H2,1H3</moldb-inchi>
  <moldb-inchikey>ABJBXGUBXHNMKN-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">356.1558492</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.8</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>CHEM319008</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-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylsulfonyl)piperazine</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>Benzenoids</superklass>
  <klass>Dibenzocycloheptenes</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0273803</sync-id>
  <structure-inchikey>ABJBXGUBXHNMKN-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000002000000000000000000000000000000000000010000000000000008000000000000000020020000100000200000000000000000000000000000000000000000000000400000000000000020000000000000000000000000000000000000000000000000000000000000000000020100000000000000000000101000000040000000800000000000004000000000000100000100080000000000000000000000000000000000080000000000000004000000088000000000000000000000000000000000000000000000400000000008000000200200000000000000000000000000000040000000000000000000040000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`������� ������`�������`������� ������(�������(�������`������@(������@h�������@h�������@h�������@h�������@(�������`�������`������@(������@h�������@h�������@h�������@h�������@(��������������������������������	���
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  <structure-indexed-at type="dateTime">2026-09-19T05:27:30Z</structure-indexed-at>
</compound>
