312063 <common-name>2-(3-oxo-2-thiophen-2-ylpiperazin-1-yl)ethyl 2-(4-chlorophenoxy)acetate</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>3070022</pubchem-id> <chemical-formula>C18H19ClN2O4S</chemical-formula> <weight>394.9</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">2026-08-29T08:22:58Z</created-at> <updated-at type="dateTime">2026-08-29T08:22:58Z</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(C(C(=O)N1)C2=CC=CS2)CCOC(=O)COC3=CC=C(C=C3)Cl</moldb-smiles> <moldb-formula>C18H19ClN2O4S</moldb-formula> <moldb-inchi>InChI=1S/C18H19ClN2O4S/c19-13-3-5-14(6-4-13)25-12-16(22)24-10-9-21-8-7-20-18(23)17(21)15-2-1-11-26-15/h1-6,11,17H,7-10,12H2,(H,20,23)</moldb-inchi> <moldb-inchikey>HCFUWRMPMNKJPX-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">394.075406</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3</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>CHEM307956</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-(3-oxo-2-thiophen-2-ylpiperazin-1-yl)ethyl 2-(4-chlorophenoxy)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>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0263004</sync-id> <structure-inchikey>HCFUWRMPMNKJPX-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>60000000000000001800002000000000010000000400000002080000040000000000000004020200000000000000100000001000000000000000000000000000000000000400000000000004000001060000014000100000200000000000000000000010080000000000000000000000000020100000000000000000000100020000000020000800000200000004000000000000000000000000000000000000000000000000001000000086000000000100000080000008000000000000000000001020000000080000000000000000010000000000000000200000000000000000000000000002040030000000400000000000000000008080002000000</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�B��������������� �����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:19:05Z</structure-indexed-at> </compound>