346746 <common-name>4-[(e)-[4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]iminomethyl]-n,n-dimethylaniline</common-name> <description>4-[(e)-[4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]iminomethyl]-n,n-dimethylaniline is a compound with the formula C27H30N4S. It has an average molecular weight of 442.60 g/mol.</description> <cas>86758-95-4</cas> <pubchem-id>9588681</pubchem-id> <chemical-formula>C27H30N4S</chemical-formula> <weight>442.6</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">2026-08-31T10:16:23Z</created-at> <updated-at type="dateTime">2026-08-31T10:16:23Z</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)C1=CC=C(C=C1)C=NN2CCN(CC2)C3CC4=CC=CC=C4SC5=CC=CC=C35</moldb-smiles> <moldb-formula>C27H30N4S</moldb-formula> <moldb-inchi>InChI=1S/C27H30N4S/c1-29(2)23-13-11-21(12-14-23)20-28-31-17-15-30(16-18-31)25-19-22-7-3-5-9-26(22)32-27-10-6-4-8-24(25)27/h3-14,20,25H,15-19H2,1-2H3/b28-20+</moldb-inchi> <moldb-inchikey>BFXFWBVVOHPTLH-VFCFBJKWSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">442.2191182</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.7</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>CHEM342639</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>4-[(e)-[4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]iminomethyl]-n,n-dimethylaniline</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>CED0297097</sync-id> <structure-inchikey>BFXFWBVVOHPTLH-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000000000000000000000000000400000010000000002000000000000008000000000100000040000000000000000000000000000000000000000000000020000000000000000000010000200100004004000000000000000000000000000000080004000000000020100040080000800000000101000000040080000808000000000000040100000000100000000080000000000000000008000000000000000180001800000000000000000008000000000000000000000000040000000000000000000000000000808000000800200080000000002000000000002000040000000000000000000000000000000000000004008</structure-fingerprint> 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