12560 <common-name>1,2-Benzenedicarboxamide, N2-[1,1-dimethyl-2-(methylsulfonyl)ethyl]-3-iodo-N1-[2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl]-</common-name> <description nil="true"/> <cas>272451-65-7</cas> <pubchem-id>11193251</pubchem-id> <chemical-formula>C23H22F7IN2O4S</chemical-formula> <weight nil="true"/> <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">2016-05-19T03:39:01Z</created-at> <updated-at type="dateTime">2026-03-26T22:22:39Z</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(=CC=C1NC(=O)C1=C(C(O)=NC(C)(C)CS(C)(=O)=O)C(I)=CC=C1)C(F)(C(F)(F)F)C(F)(F)F</moldb-smiles> <moldb-formula>C23H22F7IN2O4S</moldb-formula> <moldb-inchi>InChI=1S/C23H22F7IN2O4S/c1-12-10-13(21(24,22(25,26)27)23(28,29)30)8-9-16(12)32-18(34)14-6-5-7-15(31)17(14)19(35)33-20(2,3)11-38(4,36)37/h5-10H,11H2,1-4H3,(H,32,34)(H,33,35)</moldb-inchi> <moldb-inchikey>ZGNITFSDLCMLGI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">682.39</moldb-average-mass> <moldb-mono-mass type="decimal">682.02332</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>9368325</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>CHEM011455</chemdb-id> <dsstox-id>DTXSID4047672</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00004502</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>95.82999999999998</moldb-polar-surface-area> <moldb-refractivity>137.20020000000002</moldb-refractivity> <moldb-polarizability>52.40211993011352</moldb-polarizability> <moldb-rotatable-bond-count>9</moldb-rotatable-bond-count> <moldb-acceptor-count>5</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>6.322287422414706</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>2.370888611202196</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>4.71</moldb-alogps-logp> <moldb-alogps-logs>-5.49</moldb-alogps-logs> <moldb-alogps-solubility>2.23e-03 g/l</moldb-alogps-solubility> </compound>