310251 <common-name>Ethyl 5-(4-chlorophenyl)-12-methyl-2-oxo-4,10-dithia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),5,8,11-tetraene-11-carboxylate</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>3078846</pubchem-id> <chemical-formula>C18H13ClN2O3S2</chemical-formula> <weight>404.9</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">2026-08-29T05:22:42Z</created-at> <updated-at type="dateTime">2026-08-29T05:22:42Z</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(N2C(=O)C3=C(C=C(S3)C4=CC=C(C=C4)Cl)N=C2S1)C</moldb-smiles> <moldb-formula>C18H13ClN2O3S2</moldb-formula> <moldb-inchi>InChI=1S/C18H13ClN2O3S2/c1-3-24-17(23)14-9(2)21-16(22)15-12(20-18(21)26-14)8-13(25-15)10-4-6-11(19)7-5-10/h4-8H,3H2,1-2H3</moldb-inchi> <moldb-inchikey>ZVVXFBCMYPLSSK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">404.0056123</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.7</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>CHEM306144</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 5-(4-chlorophenyl)-12-methyl-2-oxo-4,10-dithia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),5,8,11-tetraene-11-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>Organoheterocyclic compounds</superklass> <klass>Thienopyrimidines</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0261231</sync-id> <structure-inchikey>ZVVXFBCMYPLSSK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000800000000000100050002000008000000080000000000000000002000020000000000000002100000000000000000000000000000080000010000800400000200000000000040020000010000100000000000000010080040000010080000400000000100000800000000100000000000000000000000001000040020000004000000000000000800000008000000000020000000000008000000000000000000000090000000000000002000000000000000000000000000000000000000000800000000000000010001000002000000200020000000000000000000001000040000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>7116400085128e4485090b648128b0241180940281052082103762408220c8cc54220815138000202159410800c00000246002a5408c320188a6e47940a1c106d7110c081290541010901060047203000e4cc5d1532d1f3242041d66d82259240c2885272048228161008488dfb4924160868072811de00415183c7002510002104e00094ef8820908061652ca3c0009391d8a9244401e8a742c8c3068c080c4d0d3109081b3c0000a040969237c27100ae01042a945084018a86a100cc84612b00a02ac44900a3301800400741502d00d010000436070200d0122042a0003089191e11008890204080014115512a0800c1002309056060e4102102052418842</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�B������������ ������� � �����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:17:44Z</structure-indexed-at> </compound>