339814 <common-name>1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[2-(1,3-dioxan-2-yl)ethyl]piperazine</common-name> <description>1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[2-(1,3-dioxan-2-yl)ethyl]piperazine is a chemical compound with the formula C24H29ClN2O2S. 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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>CHEM335707</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-[2-(1,3-dioxan-2-yl)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>CED0290230</sync-id> <structure-inchikey>FUDFDRKPQCBOAR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000020800000000000000000000400000000400080010000000000000000000000000400000040000400040000000000000000000000000000000000000000400000000000000000000000a0001000000000000000008000000000000021008000800000000010000000000002010006000000080000000810180000000008001080000000000000404000000000010000000008000000000000000000800800000000000008000100000000000000000000a000000000000000000000000040000000000000000000000010000008000000800200000000010000000000000002000040000000000000000000000000000000000000000008</structure-fingerprint> 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