341787 <common-name>2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl 2-[3-(trifluoromethylsulfanyl)anilino]pyridine-3-carboxylate</common-name> <description>2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl 2-[3-(trifluoromethylsulfanyl)anilino]pyridine-3-carboxylate has the chemical formula C25H24ClF3N4O2S. With an average molecular weight of 537.00 g/mol, 2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl 2-[3-(trifluoromethylsulfanyl)anilino]pyridine-3-carboxylate is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>3053369</pubchem-id> <chemical-formula>C25H24ClF3N4O2S</chemical-formula> <weight>537</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">2026-08-31T02:25:18Z</created-at> <updated-at type="dateTime">2026-08-31T02:25:18Z</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(CCN1CCOC(=O)C2=C(N=CC=C2)NC3=CC(=CC=C3)SC(F)(F)F)C4=CC(=CC=C4)Cl</moldb-smiles> <moldb-formula>C25H24ClF3N4O2S</moldb-formula> <moldb-inchi>InChI=1S/C25H24ClF3N4O2S/c26-18-4-1-6-20(16-18)33-12-10-32(11-13-33)14-15-35-24(34)22-8-3-9-30-23(22)31-19-5-2-7-21(17-19)36-25(27,28)29/h1-9,16-17H,10-15H2,(H,30,31)</moldb-inchi> <moldb-inchikey>UMHCAQGCRPSSAJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">536.1260594</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>7.1</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>CHEM337680</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>2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl 2-[3-(trifluoromethylsulfanyl)anilino]pyridine-3-carboxylate</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>CED0292182</sync-id> <structure-inchikey>UMHCAQGCRPSSAJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400100400004000218000000028000000500404000001000000800000000000000000000000000040000000000020000001000000000080000000001080000000040000004000000080000000200000200080000101010800400000000000000000000110000000000000001000800000000201000000000000000000000000011040000000008000000000000040800000000000000000000000020000000000000000000000000000000800000000000000010c000000a000000800000000000000000200800000000000000000004010000000000000000200000000010000000040000000002040000000200400800000000000000100000000000000</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�B������������ ��������������� !"�����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:41:37Z</structure-indexed-at> </compound>