346316 <common-name>2-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one</common-name> <description>2-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is a chemical compound with the formula C27H26N2O4S2. With an average molecular weight of 506.60 g/mol, 2-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is a heavy molecule.</description> <cas>477332-77-7</cas> <pubchem-id>1985903</pubchem-id> <chemical-formula>C27H26N2O4S2</chemical-formula> <weight>506.6</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">2026-08-31T09:43:25Z</created-at> <updated-at type="dateTime">2026-08-31T09:43:25Z</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>CCOC1=CC=C(C=C1)C(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)OC</moldb-smiles> <moldb-formula>C27H26N2O4S2</moldb-formula> <moldb-inchi>InChI=1S/C27H26N2O4S2/c1-3-33-20-12-8-17(9-13-20)22(30)16-34-27-28-25-24(21-6-4-5-7-23(21)35-25)26(31)29(27)18-10-14-19(32-2)15-11-18/h8-15H,3-7,16H2,1-2H3</moldb-inchi> <moldb-inchikey>NGXYKCMOJSBXJT-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">506.1333997</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.3</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>CHEM342209</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>2-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one</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>Organic oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbonyl compounds</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0296669</sync-id> <structure-inchikey>NGXYKCMOJSBXJT-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000200400800002000800000000002000000040000008004400000000000002000220200004000040002080000000001000000000000000000081200000000000000000000000000000000020000010200100000200000010000000040000010000010040000400000002000000020100000000000000040000000800000040000000000000000000000000000000000000000000020000000000000000000000000000000000084140000000020000080000000000000000000080000000000000000000200000000000000000044000100000200200000000000000004040000001000040000000000400000000010000008040000000000000</structure-fingerprint> 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