13636 <common-name>Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2,4-dimethylphenyl)-3-oxo-</common-name> <description nil="true"/> <cas>5102-83-0</cas> <pubchem-id>73462</pubchem-id> <chemical-formula>C36H34Cl2N6O4</chemical-formula> <weight>685.6</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">2016-05-19T03:57:31Z</created-at> <updated-at type="dateTime">2026-08-22T11:52:33Z</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>CC(=O)C(N=NC1=C(Cl)C=C(C=C1)C1=CC(Cl)=C(C=C1)N=NC(C(C)=O)C(O)=NC1=C(C)C=C(C)C=C1)C(O)=NC1=C(C)C=C(C)C=C1</moldb-smiles> <moldb-formula>C36H34Cl2N6O4</moldb-formula> <moldb-inchi>InChI=1S/C36H34Cl2N6O4/c1-19-7-11-29(21(3)15-19)39-35(47)33(23(5)45)43-41-31-13-9-25(17-27(31)37)26-10-14-32(28(38)18-26)42-44-34(24(6)46)36(48)40-30-12-8-20(2)16-22(30)4/h7-18,33-34H,1-6H3,(H,39,47)(H,40,48)</moldb-inchi> <moldb-inchikey>IAFBRPFISOTXSO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">685.61</moldb-average-mass> <moldb-mono-mass type="decimal">684.201859</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>9.5</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>66158</chemspider-id> <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>CHEM012531</chemdb-id> <dsstox-id>DTXSID0029268</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00006113</stoff-ident-id> <susdat-id>NS00006890</susdat-id> <iupac>2-[[2-chloro-4-[3-chloro-4-[[1-(2,4-dimethylanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]phenyl]diazenyl]-N-(2,4-dimethylphenyl)-3-oxobutanamide</iupac> <moldb-polar-surface-area>148.75999999999996</moldb-polar-surface-area> <moldb-refractivity>195.31940000000003</moldb-refractivity> <moldb-polarizability>73.41925222121961</moldb-polarizability> <moldb-rotatable-bond-count>11</moldb-rotatable-bond-count> <moldb-acceptor-count>10</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>0.1100736004764915</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>2.5824340360159908</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp>7.04</moldb-alogps-logp> <moldb-alogps-logs>-6.00</moldb-alogps-logs> <moldb-alogps-solubility>6.84e-04 g/l</moldb-alogps-solubility> </compound>