335723 <common-name>[4-(azepan-1-yl)-2-(3,4-dichlorophenyl)butyl] 2,4-dichlorobenzoate</common-name> <description>[4-(azepan-1-yl)-2-(3,4-dichlorophenyl)butyl] 2,4-dichlorobenzoate is a chemical compound with the formula C23H25Cl4NO2. It has an average molecular weight of 489.30 g/mol.</description> <cas nil="true"/> <pubchem-id>3088864</pubchem-id> <chemical-formula>C23H25Cl4NO2</chemical-formula> <weight>489.3</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">2026-08-30T17:57:24Z</created-at> <updated-at type="dateTime">2026-08-30T17:57:24Z</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>C1CCCN(CC1)CCC(COC(=O)C2=C(C=C(C=C2)Cl)Cl)C3=CC(=C(C=C3)Cl)Cl</moldb-smiles> <moldb-formula>C23H25Cl4NO2</moldb-formula> <moldb-inchi>InChI=1S/C23H25Cl4NO2/c24-18-6-7-19(21(26)14-18)23(29)30-15-17(16-5-8-20(25)22(27)13-16)9-12-28-10-3-1-2-4-11-28/h5-8,13-14,17H,1-4,9-12,15H2</moldb-inchi> <moldb-inchikey>OPZBVNDRBHVJHP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">487.06394</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>7.6</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>CHEM331616</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-(azepan-1-yl)-2-(3,4-dichlorophenyl)butyl] 2,4-dichlorobenzoate</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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Benzoic acids and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0286192</sync-id> <structure-inchikey>OPZBVNDRBHVJHP-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>6000000000000000100080000000020000005000040000000000008000000000000000000800000000000800100200000000000000000001000000000000000000000000000040000000000000000000002000200000010000000000100000000000000001008000000000000010000000000002010000000000000000000000080000000000000000000000008000500000000000000040000000000000000000000008000000000000040008000020000200000000000000a000000000000000002000000000000000000000000000004010000000000000000301000000010000000000000004000040000000000400000000000000000302000000000000</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�B������������������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:37:23Z</structure-indexed-at> </compound>