325981 <common-name>N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide</common-name> <description>N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide is a chemical compound with the formula C21H19ClF3N3O2S2. With an average molecular weight of 502.00 g/mol, N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide is a heavy molecule.</description> <cas>573669-21-3</cas> <pubchem-id>4986006</pubchem-id> <chemical-formula>C21H19ClF3N3O2S2</chemical-formula> <weight>502</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">2026-08-30T04:00:10Z</created-at> <updated-at type="dateTime">2026-08-30T04:00:10Z</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>CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)SC4=C2CCCC4</moldb-smiles> <moldb-formula>C21H19ClF3N3O2S2</moldb-formula> <moldb-inchi>InChI=1S/C21H19ClF3N3O2S2/c1-2-28-19(30)17-12-5-3-4-6-15(12)32-18(17)27-20(28)31-10-16(29)26-11-7-8-14(22)13(9-11)21(23,24)25/h7-9H,2-6,10H2,1H3,(H,26,29)</moldb-inchi> <moldb-inchikey>JZEXJIGSSOPIFW-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">501.0559314</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.8</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>CHEM321874</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-chloro-3-(trifluoromethyl)phenyl]-2-[(3-ethyl-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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Trifluoromethylbenzenes</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0276606</sync-id> <structure-inchikey>JZEXJIGSSOPIFW-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>24600000000080000000280000000000200000810000000800000000020000000200022000000400004200208000000010100000000000000000008100000000000040000000000000000000042000205000000000000000001000000000000021400000001020000010000004000002010000000000000004000000084000004000000000000000000000008000000000000000000000000000000000000000000000000000000008014000000002000005000000000000200000000000000000000000000000000000010000001000000010000020020000000000000000c000000001000040000000000400800000010000008000000000000010</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAgAAAAIwAAAIABBgBgAAAAAQMGAGAAAAAC AgdAKAAAAAMDBkAoAAAAAwQIACgAAAADAgZAKAAAAAMEBkAoAAAAAwQHQCgA AAADAwZAKAAAAAMEEAAgAAAAAgYAYAAAAAICBgAoAAAAAwQIACgAAAADAgcA aAAAAAMCAQZAKAAAAAMEBkBoAAAAAwMBBkAoAAAAAwQGQCgAAAADBAZAaAAA AAMDAQZAaAAAAAMDAREAIAAAAAEGACAAAAAECQAgAAAAAQkAIAAAAAEJACAA AAABEEAoAAAAAwIGQCgAAAADBAZAKAAAAAMEBgBgAAAAAgIGAGAAAAACAgYA YAAAAAICBgBgAAAAAgILAAEAAQIAAgNoDAMEKAIDBWgMBQZoDAYHaAwHCGgM CAkACQoACgsACwwoAgsNIA0OIA4PaAwPEGgMEBFoDBESaAwSE2gMERQAEBUA FRYAFRcAFRgABhloDBkaaAwaG2gMGxwAHB0AHR4AHh8ACAJoDBsFaAwTDmgM HxoAQgQAAAAGAggHBgUDBg8QERITDgUZBgUbGgYcHR4fGhsXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:29:46Z</structure-indexed-at> </compound>