<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">352189</id>
  <title nil="true"/>
  <common-name>Bis[ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino] benzene-1,4-dicarboxylate</common-name>
  <description>Bis[ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino] benzene-1,4-dicarboxylate is a chemical compound with the formula C32H34F6N2O4. With an average molecular weight of 624.60 g/mol, Bis[ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino] benzene-1,4-dicarboxylate is a heavy molecule.</description>
  <cas>94593-44-9</cas>
  <pubchem-id>13394794</pubchem-id>
  <chemical-formula>C32H34F6N2O4</chemical-formula>
  <weight>624.6</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">2026-08-31T18:23:29Z</created-at>
  <updated-at type="dateTime">2026-08-31T18:23:29Z</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>CCN(C(C)CC1=CC(=CC=C1)C(F)(F)F)OC(=O)C2=CC=C(C=C2)C(=O)ON(CC)C(C)CC3=CC(=CC=C3)C(F)(F)F</moldb-smiles>
  <moldb-formula>C32H34F6N2O4</moldb-formula>
  <moldb-inchi>InChI=1S/C32H34F6N2O4/c1-5-39(21(3)17-23-9-7-11-27(19-23)31(33,34)35)43-29(41)25-13-15-26(16-14-25)30(42)44-40(6-2)22(4)18-24-10-8-12-28(20-24)32(36,37)38/h7-16,19-22H,5-6,17-18H2,1-4H3</moldb-inchi>
  <moldb-inchikey>ONBWCRFNRHKGFD-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">624.2422765</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>9.4</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>CHEM348082</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>Bis[ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino] benzene-1,4-dicarboxylate</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>CED0302479</sync-id>
  <structure-inchikey>ONBWCRFNRHKGFD-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000001800000012000000040000000000000000000004000000000001002000000000000000000000000000000000000000000000000000000000000000000000000040002020000000020000000000140000000000000000000000000014000000000000000104000001000000800000000000000000000000001000440200000800000000000000000000000000000000010000000080000000000000200000000000080084000000040000000040000000000000000200000000000000000000000000000000000000000004000000000000220000000000000000000000000000040000000000400800000000000000200000040000000</structure-fingerprint>
  <structure-pattern-fingerprint>7034c00085328664c1801b6081b8a2001800148281052070803920608234e84c6c020050118000000100412800c00000046003a4408d3225016c653980a04210c7190c819a80140040901260127203020804c58051211f374004446244024b858e20452f004c022140080480ddb4004c348680520125e5063118044002511002104418080ef0820a08070250c82c0089391d181244409e8a500408206040048400d3309300b0c33008040860017c75144ac000028941085010900ab04cc00212a00010a40498032219808680555142990c010010032070008d600000280103049028491498818920134c0201d812208200500430c0c2042e1300900052080202</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������,���.���€���`�������`������� ������`�������`�������`������@(������@h�������@(������@h�������@h�������@h�������� ����	� ����	� ����	� ������(�������(�������(������@(������@h�������@h�������@(������@h�������@h��������(�������(�������(������� ������`�������`�������`�������`�������`������@(������@h�������@(������@h�������@h�������@h�������� ����	� ����	� ����	� �������������������������h���h��	h�	
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����������#$%&amp;'"����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:49:58Z</structure-indexed-at>
</compound>
