339818 <common-name>1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-cyclohexylpiperazine</common-name> <description>1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-cyclohexylpiperazine is a chemical compound with the formula C24H29ClN2S. It has an average molecular weight of 413.00 g/mol.</description> <cas nil="true"/> <pubchem-id>215031</pubchem-id> <chemical-formula>C24H29ClN2S</chemical-formula> <weight>413</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">2026-08-30T23:12:48Z</created-at> <updated-at type="dateTime">2026-08-30T23:12:48Z</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>C1CCC(CC1)N2CCN(CC2)C3CC4=CC=CC=C4SC5=C3C=C(C=C5)Cl</moldb-smiles> <moldb-formula>C24H29ClN2S</moldb-formula> <moldb-inchi>InChI=1S/C24H29ClN2S/c25-19-10-11-24-21(17-19)22(16-18-6-4-5-9-23(18)28-24)27-14-12-26(13-15-27)20-7-2-1-3-8-20/h4-6,9-11,17,20,22H,1-3,7-8,12-16H2</moldb-inchi> <moldb-inchikey>GYZAWUAQRJIZSR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">412.1739978</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.1</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>CHEM335711</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-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-cyclohexylpiperazine</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>CED0290234</sync-id> <structure-inchikey>GYZAWUAQRJIZSR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000000000000000000000000000000000000040000000040008001000000000000000000000000000000000000040004000000000080000000000000000000000000000240000000000000000000000000001000000000000000008000000000000000008000000000000010002000000002010004000000080000000010180000000008000080000000000000004000000000010000000008000000000000000000800c000000000000080001000000000000000000008000000000000000000000000040000000000000000000000010000008000000800200000000000000000000000002000040000000020000000000000000000040000000000008</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAcAAAAIAAAAIABBgBgAAAAAgIGAGAAAAAC AgYAYAAAAAICBgBgAAAAAwEGAGAAAAACAgYAYAAAAAICBwAgAAAAAwYAYAAA AAICBgBgAAAAAgIHACAAAAADBgBgAAAAAgIGAGAAAAACAgYAYAAAAAMBBgBg AAAAAgIGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAaAAA AAMDAQZAKAAAAAMEEAAgAAAAAgZAKAAAAAMEBkAoAAAAAwQGQGgAAAADAwEG QCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAREAIAAAAAELAAEAAQIAAgMAAwQA BAUAAwYABgcABwgACAkACQoACgsACQwADA0ADQ4ADg9oDA8QaAwQEWgMERJo DBITaAwTFAAUFQAVFmgMFhdoDBcYaAwYGWgMGRpoDBgbAAUAAAsGABYMABMO aAwaFWgMQgUAAAAGAAUEAwIBBgcICQoLBgcNDBYVFBMOBg8QERITDgYXGBka FRYXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:40:14Z</structure-indexed-at> </compound>