<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">347889</id>
  <title nil="true"/>
  <common-name>(5e)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1-(3-methoxyphenyl)-2-sulfanylidene-3-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione</common-name>
  <description>(5e)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1-(3-methoxyphenyl)-2-sulfanylidene-3-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione is a chemical compound with the formula C28H26N2O5S. With an average molecular weight of 502.60 g/mol, (5e)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1-(3-methoxyphenyl)-2-sulfanylidene-3-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione is a heavy molecule.</description>
  <cas>79838-90-7</cas>
  <pubchem-id>6447665</pubchem-id>
  <chemical-formula>C28H26N2O5S</chemical-formula>
  <weight>502.6</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">2026-08-31T11:44:11Z</created-at>
  <updated-at type="dateTime">2026-08-31T11:44:11Z</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>CC1=CC(=C(C(=C1)C)N2C(=O)C(=CC3=CC(=C(C=C3)OC)O)C(=O)N(C2=S)C4=CC(=CC=C4)OC)C</moldb-smiles>
  <moldb-formula>C28H26N2O5S</moldb-formula>
  <moldb-inchi>InChI=1S/C28H26N2O5S/c1-16-11-17(2)25(18(3)12-16)30-27(33)22(13-19-9-10-24(35-5)23(31)14-19)26(32)29(28(30)36)20-7-6-8-21(15-20)34-4/h6-15,31H,1-5H3/b22-13+</moldb-inchi>
  <moldb-inchikey>GMNIZPFGCDQJMD-LPYMAVHISA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">502.1562431</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.7</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>CHEM343782</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>(5e)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1-(3-methoxyphenyl)-2-sulfanylidene-3-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione</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>N-phenylthioureas</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0298225</sync-id>
  <structure-inchikey>GMNIZPFGCDQJMD-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>10400080000000000002400000000000201000000000000800000000004000000040000000202000000000000000000000000000000000000000000000000000000000002000000000000000000000200000000003000000000000000000000400000100000008400200001100000000000001000000000000000000001000010040400000008000000080000000000000000000000000100000000000000000000000000000000000400a1100000000000000000000000000080000000080000000000004002100000000000000000002000000042001000200000000000000000140000000000040000000000000000000400028000000000000004000</structure-fingerprint>
  <structure-pattern-fingerprint>7014c0008d32867081001b608138a2001a0014008105a010803da0408224c8cc6c220050138000000100490a00c00000046002adc08d3221036ef53980a04090c7110c8112881600009210c0127202000804c58151211f3340441562402259040c39852f004c9220400c9480ddb4004d208680528101c1067198264002710206105110584ef8820808860254c82c0288391d981244429e8a5023086060e0048641d3101310b0c22002040968257c75144ac004028941084010a04a104cc00212a09080e404d8013319808484571142910c010010034050000d6102802800a340b0384d341a8101281108440b599220820050043090c2040e1108908072010606</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAkAAAAJwAAAIABBgBgAAAAAQMGQCgAAAAD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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:46:26Z</structure-indexed-at>
</compound>
