322518 <common-name>1-[2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)oxy]ethyl]piperazine</common-name> <description>1-[2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)oxy]ethyl]piperazine is a chemical compound with the formula C20H23ClN2OS. It has an average molecular weight of 374.90 g/mol.</description> <cas nil="true"/> <pubchem-id>13295993</pubchem-id> <chemical-formula>C20H23ClN2OS</chemical-formula> <weight>374.9</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">2026-08-29T22:40:45Z</created-at> <updated-at type="dateTime">2026-08-29T22:40:45Z</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>C1CN(CCN1)CCOC2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl</moldb-smiles> <moldb-formula>C20H23ClN2OS</moldb-formula> <moldb-inchi>InChI=1S/C20H23ClN2OS/c21-16-5-6-20-17(14-16)18(13-15-3-1-2-4-19(15)25-20)24-12-11-23-9-7-22-8-10-23/h1-6,14,18,22H,7-13H2</moldb-inchi> <moldb-inchikey>SPEYEMSUSCPBAC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">374.1219622</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.7</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>CHEM318411</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-[2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)oxy]ethyl]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>Organoheterocyclic compounds</superklass> <klass>Benzothiepins</klass> <subklass>Dibenzothiepins</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0273221</sync-id> <structure-inchikey>SPEYEMSUSCPBAC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000080000000880000000000000000000040000000000008001000000800000000000400000000000000000000004000000000000000000000000000000000400000040080000000000000000000000001000010000000000008000000000000000008100000000000010000000000002010004000000080000000010100000000008000080000020000000404000000000010000000008000000800000000008000800000000000008000000000000000000000200a000000008000000000000000040000000000000000000000010000008004000000200000000010000000000000000000040000000000000000000000000000000000008000008</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAZAAAAHAAAAIABBgBgAAAAAgIGAGAAAAAC AgcAIAAAAAMGAGAAAAACAgYAYAAAAAICBwBgAAAAAgEGAGAAAAACAgYAYAAA AAICCAAgAAAAAgYAYAAAAAMBBgBgAAAAAgIGQCgAAAADBAZAaAAAAAMDAQZA aAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMEEAAgAAAAAgZAKAAA AAMEBkAoAAAAAwQGQGgAAAADAwEGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMD AREAIAAAAAELAAEAAQIAAgMAAwQABAUAAgYABgcABwgACAkACQoACgsACwxo DAwNaAwNDmgMDg9oDA8QaAwQEQAREgASE2gMExRoDBQVaAwVFmgMFhdoDBUY AAUAABMJABALaAwXEmgMQgQAAAAGAAUEAwIBBwoJExIREAsGDA0ODxALBhQV FhcSExcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:27:02Z</structure-indexed-at> </compound>