325957 <common-name>6,8-dibromo-3-[5-[2-hydroxy-3-(4-methylanilino)propyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one</common-name> <description>6,8-dibromo-3-[5-[2-hydroxy-3-(4-methylanilino)propyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one is a chemical compound with the formula C21H19Br2N5O2S2. With an average molecular weight of 597.40 g/mol, 6,8-dibromo-3-[5-[2-hydroxy-3-(4-methylanilino)propyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>64004</pubchem-id> <chemical-formula>C21H19Br2N5O2S2</chemical-formula> <weight>597.4</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">2026-08-30T03:57:52Z</created-at> <updated-at type="dateTime">2026-08-30T03:57:52Z</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>CC1=CC=C(C=C1)NCC(CSC2=NN=C(S2)N3C(=NC4=C(C3=O)C=C(C=C4Br)Br)C)O</moldb-smiles> <moldb-formula>C21H19Br2N5O2S2</moldb-formula> <moldb-inchi>InChI=1S/C21H19Br2N5O2S2/c1-11-3-5-14(6-4-11)24-9-15(29)10-31-21-27-26-20(32-21)28-12(2)25-18-16(19(28)30)7-13(22)8-17(18)23/h3-8,15,24,29H,9-10H2,1-2H3</moldb-inchi> <moldb-inchikey>QSPDQEAGERFXTR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">594.93469</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.9</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>CHEM321850</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>6,8-dibromo-3-[5-[2-hydroxy-3-(4-methylanilino)propyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-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>Organoheterocyclic compounds</superklass> <klass>Diazanaphthalenes</klass> <subklass>Benzodiazines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0276582</sync-id> <structure-inchikey>QSPDQEAGERFXTR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000020000800000000800000000002000000100000000101000020000000000000020000014000000002000000020000000000000000000000080000000000000000000000002000000000020000010000000000000800000000000000004010090004010000000100000000404000100000100000000010000000000000040000000040000000000000080080000000000000000000000000000000400000000000000040000080000000280000000000000000004000000040000000000000000006004000100002000800000000000002820000200040000000000000100000001000040000000000080080000000000000040000000100200</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�B������������ ����������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:29:45Z</structure-indexed-at> </compound>