330079 <common-name>5-[(4-chloroanilino)methyl]-1-phenyl-3-pyridin-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione</common-name> <description>5-[(4-chloroanilino)methyl]-1-phenyl-3-pyridin-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione is a chemical compound with the formula C22H17ClN4O2S. It has an average molecular weight of 436.90 g/mol.</description> <cas>156338-82-8</cas> <pubchem-id>3074318</pubchem-id> <chemical-formula>C22H17ClN4O2S</chemical-formula> <weight>436.9</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">2026-08-30T10:32:51Z</created-at> <updated-at type="dateTime">2026-08-30T10:32:51Z</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>C1=CC=C(C=C1)N2C(=O)C(C(=O)N(C2=S)C3=CC=CC=N3)CNC4=CC=C(C=C4)Cl</moldb-smiles> <moldb-formula>C22H17ClN4O2S</moldb-formula> <moldb-inchi>InChI=1S/C22H17ClN4O2S/c23-15-9-11-16(12-10-15)25-14-18-20(28)26(17-6-2-1-3-7-17)22(30)27(21(18)29)19-8-4-5-13-24-19/h1-13,18,25H,14H2</moldb-inchi> <moldb-inchikey>PRXHIASQQMMDFK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">436.0760747</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.5</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>CHEM325972</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>5-[(4-chloroanilino)methyl]-1-phenyl-3-pyridin-2-yl-2-sulfanylidene-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>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0280635</sync-id> <structure-inchikey>PRXHIASQQMMDFK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000200008000400000000000000000000001000000800000000000000002000400200004000000000020040000000000000080000000000000000001200000004000000000000000000000201000000000000001000000000000000000000000a0000010020000010000000000000100000000000000000000100000004000020000800000000000000090000080000100000000000000000400800000000000000000000000080000000080000000080000000000000000000000000000000004000800000000000000000012000000040000000200000000000000000040000000002040000000000000000000000000000000000000000000</structure-fingerprint> 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