<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">352838</id>
  <title nil="true"/>
  <common-name>Ethyl 2-[(4e)-4-[(4-butoxyphenyl)-hydroxymethylidene]-2,3-dioxo-5-(4-pentoxyphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate</common-name>
  <description>Ethyl 2-[(4e)-4-[(4-butoxyphenyl)-hydroxymethylidene]-2,3-dioxo-5-(4-pentoxyphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate is a chemical compound with the formula C33H38N2O7S. With an average molecular weight of 606.70 g/mol, Ethyl 2-[(4e)-4-[(4-butoxyphenyl)-hydroxymethylidene]-2,3-dioxo-5-(4-pentoxyphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate is a heavy molecule.</description>
  <cas>618071-72-0</cas>
  <pubchem-id>5939152</pubchem-id>
  <chemical-formula>C33H38N2O7S</chemical-formula>
  <weight>606.7</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">2026-08-31T19:22:13Z</created-at>
  <updated-at type="dateTime">2026-08-31T19:22:13Z</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>CCCCCOC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OCCCC)O)C(=O)C(=O)N2C4=NC(=C(S4)C(=O)OCC)C</moldb-smiles>
  <moldb-formula>C33H38N2O7S</moldb-formula>
  <moldb-inchi>InChI=1S/C33H38N2O7S/c1-5-8-10-20-42-24-15-11-22(12-16-24)27-26(28(36)23-13-17-25(18-14-23)41-19-9-6-2)29(37)31(38)35(27)33-34-21(4)30(43-33)32(39)40-7-3/h11-18,27,36H,5-10,19-20H2,1-4H3/b28-26+</moldb-inchi>
  <moldb-inchikey>FAWNGTVCECMVHV-BYCLXTJYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">606.2399727</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>7.8</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>CHEM348731</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>Ethyl 2-[(4e)-4-[(4-butoxyphenyl)-hydroxymethylidene]-2,3-dioxo-5-(4-pentoxyphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-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>Pyrrolidines</klass>
  <subklass>Phenylpyrrolidines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0303122</sync-id>
  <structure-inchikey>FAWNGTVCECMVHV-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000400000800802000000000050002010000000000000000000000000000002000020200000000000002004008000000000000000000000000000000000000000000000030000000000000020000010000100000200000000010000041020010020000400000000010000000000000100000000000000001000101020000040000000000000440000000000000000000000000000020060000101000000000000000000000000084000000008100008080000080000000000000000000040000000004000000020000000000000004000002000000200000000000010000000000001000040000000010420000000000000000000000000000000</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�	
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�h�	�����(��� ��h���h���h���h���h��� �������������� � ��(��� ��(��� �   !h�!"h�"#h�#$h�#% %&amp;(�%' '(�()�"*���h������h�$ h�B�������
	���������������! $#"����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:50:32Z</structure-indexed-at>
</compound>
