347935 <common-name>9-(2-chlorophenyl)-3-methyl-n-(3,4,5-trimethoxyphenyl)-17-thia-2,4,5,8,14-pentazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,8,11(16)-pentaene-14-carbothioamide</common-name> <description>9-(2-chlorophenyl)-3-methyl-n-(3,4,5-trimethoxyphenyl)-17-thia-2,4,5,8,14-pentazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,8,11(16)-pentaene-14-carbothioamide is a compound with the formula C28H27ClN6O3S2. With an average molecular weight of 595.10 g/mol, 9-(2-chlorophenyl)-3-methyl-n-(3,4,5-trimethoxyphenyl)-17-thia-2,4,5,8,14-pentazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,8,11(16)-pentaene-14-carbothioamide is a heavy molecule.</description> <cas>132418-38-3</cas> <pubchem-id>3076775</pubchem-id> <chemical-formula>C28H27ClN6O3S2</chemical-formula> <weight>595.1</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">2026-08-31T11:47:36Z</created-at> <updated-at type="dateTime">2026-08-31T11:47:36Z</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=NN=C2N1C3=C(C4=C(S3)CN(CC4)C(=S)NC5=CC(=C(C(=C5)OC)OC)OC)C(=NC2)C6=CC=CC=C6Cl</moldb-smiles> <moldb-formula>C28H27ClN6O3S2</moldb-formula> <moldb-inchi>InChI=1S/C28H27ClN6O3S2/c1-15-32-33-23-13-30-25(17-7-5-6-8-19(17)29)24-18-9-10-34(14-22(18)40-27(24)35(15)23)28(39)31-16-11-20(36-2)26(38-4)21(12-16)37-3/h5-8,11-12H,9-10,13-14H2,1-4H3,(H,31,39)</moldb-inchi> <moldb-inchikey>XCKJBPARMBYPSQ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">594.1274588</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>CHEM343828</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>9-(2-chlorophenyl)-3-methyl-n-(3,4,5-trimethoxyphenyl)-17-thia-2,4,5,8,14-pentazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,8,11(16)-pentaene-14-carbothioamide</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>Thienodiazepines</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0298271</sync-id> <structure-inchikey>XCKJBPARMBYPSQ-UHFFFAOYSA-N</structure-inchikey> 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