332098 <common-name>Ethyl 4-[(3,4,5-trimethoxybenzoyl)amino]-3-thia-1-azatricyclo[5.2.2.02,6]undeca-2(6),4-diene-5-carboxylate</common-name> <description>Ethyl 4-[(3,4,5-trimethoxybenzoyl)amino]-3-thia-1-azatricyclo[5.2.2.02,6]undeca-2(6),4-diene-5-carboxylate is a chemical compound with the formula C22H26N2O6S. It has an average molecular weight of 446.50 g/mol.</description> <cas>112290-20-7</cas> <pubchem-id>3086838</pubchem-id> <chemical-formula>C22H26N2O6S</chemical-formula> <weight>446.5</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">2026-08-30T13:12:21Z</created-at> <updated-at type="dateTime">2026-08-30T13:12:21Z</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>CCOC(=O)C1=C(SC2=C1C3CCN2CC3)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC</moldb-smiles> <moldb-formula>C22H26N2O6S</moldb-formula> <moldb-inchi>InChI=1S/C22H26N2O6S/c1-5-30-22(26)17-16-12-6-8-24(9-7-12)21(16)31-20(17)23-19(25)13-10-14(27-2)18(29-4)15(11-13)28-3/h10-12H,5-9H2,1-4H3,(H,23,25)</moldb-inchi> <moldb-inchikey>DKARQXMCTKDTCD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">446.1511577</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.2</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>CHEM327991</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 4-[(3,4,5-trimethoxybenzoyl)amino]-3-thia-1-azatricyclo[5.2.2.02,6]undeca-2(6),4-diene-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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Benzoic acids and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0282621</sync-id> <structure-inchikey>DKARQXMCTKDTCD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000022040000800000000000000050002000004000000080000000400000002002000000000500000000000000000100000800000000040002000000000000000000000000200000000000000020000010000100000000000000010000000000210000400040000000100000000000020100000000000000000000100000000040000000000000080000000080000000000000000000020000000000000000000004000000000000084000000000000000000000008000000000000080000010000000010000000000008004000000000000002000000000000000001000008000000000000040000800000400200000000020000000800000000000</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�B��������� ��� �� ��� � ���������� � ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:34:25Z</structure-indexed-at> </compound>