<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">277093</id>
  <title nil="true"/>
  <common-name>Methyl 2-[5-ethyl-2-[[4-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenoxy]methyl]phenoxy]propanoate</common-name>
  <description>Methyl 2-[5-ethyl-2-[[4-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenoxy]methyl]phenoxy]propanoate belongs to the 2-phenoxypropionic acid esters, a subclass of benzene and substituted derivatives within the organic compounds. It is categorized under the superclass of benzenoids and has the formula C50H50F6N4O12. With an average molecular weight of 1,013 g/mol, Methyl 2-[5-ethyl-2-[[4-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenoxy]methyl]phenoxy]propanoate is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>139438371</pubchem-id>
  <chemical-formula>C50H50F6N4O12</chemical-formula>
  <weight>1012.9</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">2026-08-26T16:54:40Z</created-at>
  <updated-at type="dateTime">2026-08-26T16:54:40Z</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>CCC1=CC(=C(C=C1)COC2=CC=C(C=C2)N3C(=O)C=C(N(C3=O)C)C(F)(F)F)OC(C)C(=O)OC.CCC1=CC(=C(C=C1)COC2=CC=C(C=C2)N3C(=O)C=C(N(C3=O)C)C(F)(F)F)OC(C)C(=O)OC</moldb-smiles>
  <moldb-formula>C50H50F6N4O12</moldb-formula>
  <moldb-inchi>InChI=1S/2C25H25F3N2O6/c2*1-5-16-6-7-17(20(12-16)36-15(2)23(32)34-4)14-35-19-10-8-18(9-11-19)30-22(31)13-21(25(26,27)28)29(3)24(30)33/h2*6-13,15H,5,14H2,1-4H3</moldb-inchi>
  <moldb-inchikey>SRJPAKLXHFVZTH-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">1012.332942</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <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>CHEM272986</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>Methyl 2-[5-ethyl-2-[[4-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenoxy]methyl]phenoxy]propanoate</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>2-phenoxypropionic acid esters</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0229274</sync-id>
  <structure-inchikey>SRJPAKLXHFVZTH-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>401000000000022000008000020020000000500000000000000000000040000000000010020002202000000000000000000000000000000000000000000000000000000000000800000008000000000001220080000001040002004000400000100000000140000000400080001000000000000011000200000000000000000010000000400000002000000000000440800000000000000000000404000004000000000000000000040000800800040100000000000c0000000000000000000000000000000000000000000000000000000000000000000000040220000000000100000040000000000040000000000400800000000020080040000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������H���L���€���`�������`������@(������@h�������@(������@(������@h�������@h��������`�������(������@(������@h�������@h�������@(������@h�������@h�������@(������@(�������(������@h�������@(������@(������@(�������(�������`������� ����	� ����	� ����	� ������(�������`�������`�������(�������(�������(�������`�������`�������`������@(������@h�������@(������@(������@h�������@h��������`�������(������@(������@h�������@h�������@(������@h�������@h�������@(������@(�������(������@h�������@(������@(������@(�������(�������`������� ����	� ����	� ����	� ������(�������`�������`�������(�������(�������(�������`��������������h���h���h���h���h�����	�	
 
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��������&amp;+*)('�/0123.�5789:4����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:52:49Z</structure-indexed-at>
</compound>
