44175 <common-name>1,2-Benzenedicarboxamide, N1-[1,1-dimethyl-2-(methylsulfinyl)ethyl]-N2-[2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl]-</common-name> <description nil="true"/> <cas>371771-07-2</cas> <pubchem-id>22066255</pubchem-id> <chemical-formula>C23H23F7N2O3S</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">2016-06-03T10:34:32Z</created-at> <updated-at type="dateTime">2026-03-26T19:44:36Z</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=CC(=CC=C1NC(=O)C1=CC=CC=C1C(O)=NC(C)(C)CS(C)=O)C(F)(C(F)(F)F)C(F)(F)F</moldb-smiles> <moldb-formula>C23H23F7N2O3S</moldb-formula> <moldb-inchi>InChI=1S/C23H23F7N2O3S/c1-13-11-14(21(24,22(25,26)27)23(28,29)30)9-10-17(13)31-18(33)15-7-5-6-8-16(15)19(34)32-20(2,3)12-36(4)35/h5-11H,12H2,1-4H3,(H,31,33)(H,32,34)</moldb-inchi> <moldb-inchikey>BMWUVXGFZUPLIC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">540.5</moldb-average-mass> <moldb-mono-mass type="decimal">540.131760924</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>10821761</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>CHEM043070</chemdb-id> <dsstox-id>DTXSID90893387</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00001892</stoff-ident-id> <susdat-id>NS00001566</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>78.75999999999999</moldb-polar-surface-area> <moldb-refractivity>124.6093</moldb-refractivity> <moldb-polarizability>47.03285221880549</moldb-polarizability> <moldb-rotatable-bond-count>9</moldb-rotatable-bond-count> <moldb-acceptor-count>4</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>7.203331347282262</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>3.415764731982974</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>4.25</moldb-alogps-logp> <moldb-alogps-logs>-4.30</moldb-alogps-logs> <moldb-alogps-solubility>2.68e-02 g/l</moldb-alogps-solubility> </compound>