328660 <common-name>1-(4-ethylsulfonylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol</common-name> <description>1-(4-ethylsulfonylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol is a chemical compound with the formula C21H28N2O4S. It has an average molecular weight of 404.50 g/mol.</description> <cas nil="true"/> <pubchem-id>113747</pubchem-id> <chemical-formula>C21H28N2O4S</chemical-formula> <weight>404.5</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">2026-08-30T08:38:22Z</created-at> <updated-at type="dateTime">2026-08-30T08:38:22Z</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>CCS(=O)(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3)O</moldb-smiles> <moldb-formula>C21H28N2O4S</moldb-formula> <moldb-inchi>InChI=1S/C21H28N2O4S/c1-2-28(25,26)21-10-8-20(9-11-21)27-17-19(24)16-22-12-14-23(15-13-22)18-6-4-3-5-7-18/h3-11,19,24H,2,12-17H2,1H3</moldb-inchi> <moldb-inchikey>JICOCPQTPDWYGT-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">404.1769786</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.5</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>CHEM324553</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>1-(4-ethylsulfonylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol</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>CED0279236</sync-id> <structure-inchikey>JICOCPQTPDWYGT-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000020800002000200000000000000000000000000100004000000000002000001200000020000000004000100000000000000000000000000010000000000000000000400000000800020200000010100001200000000000000000000010000000000000000000000000000020100000000000000000000000000004040000000800000000000000000000200000100000000000000000000000000000000000000000000080000040000000004080000088040000800000000000000000000000000001000000000000000000000000000000200000000010000000040000000000040000000000020000000000000000000000000000200</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�B������ ���������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:31:41Z</structure-indexed-at> </compound>