336475 <common-name>3-[4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl acetate</common-name> <description>3-[4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl acetate is a chemical compound with the formula C23H28N2O2S. It has an average molecular weight of 396.50 g/mol.</description> <cas nil="true"/> <pubchem-id>204788</pubchem-id> <chemical-formula>C23H28N2O2S</chemical-formula> <weight>396.5</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">2026-08-30T18:58:55Z</created-at> <updated-at type="dateTime">2026-08-30T18:58:55Z</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>CC(=O)OCCCN1CCN(CC1)C2CC3=CC=CC=C3SC4=CC=CC=C24</moldb-smiles> <moldb-formula>C23H28N2O2S</moldb-formula> <moldb-inchi>InChI=1S/C23H28N2O2S/c1-18(26)27-16-6-11-24-12-14-25(15-13-24)21-17-19-7-2-4-9-22(19)28-23-10-5-3-8-20(21)23/h2-5,7-10,21H,6,11-17H2,1H3</moldb-inchi> <moldb-inchikey>HYBZUNSEZJRILK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">396.1871493</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4</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>CHEM332368</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>3-[4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl acetate</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>CED0286936</sync-id> <structure-inchikey>HYBZUNSEZJRILK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000000002080000000000000001000000000000040000001000000000000000000008000000000000010000004000000000000000000000000000000000000000000000000000000000000002400001000010000000000000000000000000001000000000200000000000000000002010004000000080000000050101000004008000080000000000000404000000000010000000008000000000000000000800000000000000008000100000000000000000000a000000000000000000000000040000000000000000000000000000008800002800200000000010000000000000002000040000000010400000000000000000000000000000008</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������(�������(�������(�������`�������`�������`������� ������`�������`������� ������`�������`�������`�������`������@(������@h�������@h�������@h�������@h�������@(������� �����@(������@h�������@h�������@h�������@h�������@(�����������(��� ���������������� � � ����� � �������h���h���h���h���h���������h���h���h���h���h����� ���h���h�B�������� ��� �����������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:37:53Z</structure-indexed-at> </compound>