341505 <common-name>N-(4-chlorophenyl)-2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide</common-name> <description>N-(4-chlorophenyl)-2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide is a chemical compound with the formula C25H22ClN3O3S2. With an average molecular weight of 512.00 g/mol, N-(4-chlorophenyl)-2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide is a heavy molecule.</description> <cas>618431-94-0</cas> <pubchem-id>3679892</pubchem-id> <chemical-formula>C25H22ClN3O3S2</chemical-formula> <weight>512</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">2026-08-31T01:56:13Z</created-at> <updated-at type="dateTime">2026-08-31T01:56:13Z</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>COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=CC=C(C=C4)Cl)SC5=C3CCCC5</moldb-smiles> <moldb-formula>C25H22ClN3O3S2</moldb-formula> <moldb-inchi>InChI=1S/C25H22ClN3O3S2/c1-32-18-12-10-17(11-13-18)29-24(31)22-19-4-2-3-5-20(19)34-23(22)28-25(29)33-14-21(30)27-16-8-6-15(26)7-9-16/h6-13H,2-5,14H2,1H3,(H,27,30)</moldb-inchi> <moldb-inchikey>PGMGNDULCJXGEE-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">511.0791116</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.1</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>CHEM337398</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>N-(4-chlorophenyl)-2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide</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>Thienopyrimidines</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0291903</sync-id> <structure-inchikey>PGMGNDULCJXGEE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>600020000080000000080000000000200000014000008800400000000000000000022020000400004000208000000000100000000000000000008120000000000040000000000000000000002000001020010000020000001000000004000001008001005000000000000004000002010000000000000004000000080000004002040000000000000000008000000000000000000000000000000000000000000000000000000008014000000002000001000000000000200000008000000000000000000000000000000000001000000010000020020000000000000000c040000001000040000000000400000000010000008040000000000000</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��� � h� (� �h���h�� h� �h������������(��� �� ��h���h���h���h���h������h���h���h�������� � !���h���h���h���h�!��B������������ �� ������������������ !������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:41:26Z</structure-indexed-at> </compound>