344102 <common-name>4-bromo-7-(2-chlorophenyl)-13-[4-(2-phenoxyethyl)piperazin-1-yl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene</common-name> <description>4-bromo-7-(2-chlorophenyl)-13-[4-(2-phenoxyethyl)piperazin-1-yl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene is a chemical compound with the formula C26H24BrClN6OS. With an average molecular weight of 583.90 g/mol, 4-bromo-7-(2-chlorophenyl)-13-[4-(2-phenoxyethyl)piperazin-1-yl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>544803</pubchem-id> <chemical-formula>C26H24BrClN6OS</chemical-formula> <weight>583.9</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">2026-08-31T05:53:08Z</created-at> <updated-at type="dateTime">2026-08-31T05:53:08Z</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(CCN1CCOC2=CC=CC=C2)C3=NN=C4N3C5=C(C=C(S5)Br)C(=NC4)C6=CC=CC=C6Cl</moldb-smiles> <moldb-formula>C26H24BrClN6OS</moldb-formula> <moldb-inchi>InChI=1S/C26H24BrClN6OS/c27-22-16-20-24(19-8-4-5-9-21(19)28)29-17-23-30-31-26(34(23)25(20)36-22)33-12-10-32(11-13-33)14-15-35-18-6-2-1-3-7-18/h1-9,16H,10-15,17H2</moldb-inchi> <moldb-inchikey>VGCWVAFXSKKQML-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">582.06042</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.8</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>CHEM339995</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-bromo-7-(2-chlorophenyl)-13-[4-(2-phenoxyethyl)piperazin-1-yl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene</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>Diazinanes</klass> <subklass>Piperazines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0294475</sync-id> <structure-inchikey>VGCWVAFXSKKQML-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4008000010000002080000200000801000000200000000000000000800000000000000000000020000000800200200400010004000000000005000000000000000400000060000000000000008000000000001000010000000880000000000000000000000000000000000110400000008002010000000002028001000000002000000000000080000000000000400008000000010000000000000080000000000000000000000008040008000000000000000008000000a000000800000080000000000000000000010100000800000010000000000000000200000000010000000000800000000040000000000000000000000000000040000000000040</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���h���h���h������ ��(������ ��h���h�� h� !h�!"h�"#����� h���h������h�"�h�B������������ �� � ����������������������� !"�����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:43:24Z</structure-indexed-at> </compound>