321568 <common-name>2-[(8-chloro-6-phenyl-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)sulfanyl]-n,n-dimethylethanamine</common-name> <description>2-[(8-chloro-6-phenyl-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)sulfanyl]-n,n-dimethylethanamine is a chemical compound with the formula C20H20ClN5S. It has an average molecular weight of 397.90 g/mol.</description> <cas>153901-47-4</cas> <pubchem-id>3073957</pubchem-id> <chemical-formula>C20H20ClN5S</chemical-formula> <weight>397.9</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">2026-08-29T21:07:27Z</created-at> <updated-at type="dateTime">2026-08-29T21:07:27Z</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>CN(C)CCSC1=CC2=NN=CN2C3=C(N1C4=CC=CC=C4)C=C(C=C3)Cl</moldb-smiles> <moldb-formula>C20H20ClN5S</moldb-formula> <moldb-inchi>InChI=1S/C20H20ClN5S/c1-24(2)10-11-27-20-13-19-23-22-14-25(19)17-9-8-15(21)12-18(17)26(20)16-6-4-3-5-7-16/h3-9,12-14H,10-11H2,1-2H3</moldb-inchi> <moldb-inchikey>UBWBDYXGCNUXKJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">397.1127945</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.2</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>CHEM317461</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>2-[(8-chloro-6-phenyl-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)sulfanyl]-n,n-dimethylethanamine</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>Triazolodiazepines</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0272286</sync-id> <structure-inchikey>UBWBDYXGCNUXKJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>10000080000002000000880000000800000000002440000000000080000000000000004004000000000004000000002004000000000000000000000000000000000000000000480000000000000000000008000000000400000000000000000000000000000080000001000000104000000000800920000000000000000020000000004040000000800000010040000000180082000100000000000000080000000100000000000040000000080000000000000000000000000000000000000000000000000000000000000000000000000012000000000000000200000000000000000040000002000040020000001000000001000000000000000000000000</structure-fingerprint> 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