322024 <common-name>(11e)-11-[3-(dimethylamino)propylidene]-6h-benzo[c][1]benzothiepine-2-carboxylic acid</common-name> <description>(11e)-11-[3-(dimethylamino)propylidene]-6h-benzo[c][1]benzothiepine-2-carboxylic acid is a chemical compound with the formula C20H21NO2S. It has an average molecular weight of 339.50 g/mol.</description> <cas nil="true"/> <pubchem-id>6448458</pubchem-id> <chemical-formula>C20H21NO2S</chemical-formula> <weight>339.5</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">2026-08-29T21:50:33Z</created-at> <updated-at type="dateTime">2026-08-29T21:50:33Z</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>CN(C)CCC=C1C2=CC=CC=C2CSC3=C1C=C(C=C3)C(=O)O</moldb-smiles> <moldb-formula>C20H21NO2S</moldb-formula> <moldb-inchi>InChI=1S/C20H21NO2S/c1-21(2)11-5-8-17-16-7-4-3-6-15(16)13-24-19-10-9-14(20(22)23)12-18(17)19/h3-4,6-10,12H,5,11,13H2,1-2H3,(H,22,23)/b17-8+</moldb-inchi> <moldb-inchikey>ZZGLZNOFBAPQON-CAOOACKPSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">339.1293001</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.7</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>CHEM317917</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>(11e)-11-[3-(dimethylamino)propylidene]-6h-benzo[c][1]benzothiepine-2-carboxylic acid</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>CED0272734</sync-id> <structure-inchikey>ZZGLZNOFBAPQON-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000200000000040000000000000000000000000000000080000000000000008000000004004000000000000080000a10000000000000000000000000000000000000000028000010000600000000000080000020000180010000000000001000104000000000020000040000000080000400000000000040000000800000008000200000100000000100000000080040000000020000000000000000000001084000000000000000000000000000000000000000000000000000000000000000000000000000004008000002000200000000000000000000000000000040000000000400000001000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAYAAAAGgAAAIABBgBgAAAAAQMHACAAAAAD BgBgAAAAAQMGAGAAAAACAgYAYAAAAAICBgBoAAAAAwMBBgAoAAAAAwQGQCgA AAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAKAAA AAMEBgBgAAAAAgIQACAAAAACBkAoAAAAAwQGQCgAAAADBAZAaAAAAAMDAQZA KAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBgAoAAAAAwQIACgAAAADAggAaAAA AAMBAQsAAQABAgABAwADBAAEBQAFBigCBgcgBwhoDAgJaAwJCmgMCgtoDAsM aAwMDQANDgAODwAPEGgMEBFoDBESaAwSE2gMExRoDBIVIBUWKAIVFyAQBiAM B2gMFA9oDEIDAAAABwYHDA0ODxAGCAkKCwwHBhESExQPEBcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:26:40Z</structure-indexed-at> </compound>