<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">347988</id>
  <title nil="true"/>
  <common-name>3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-methylsulfonylamino]-n-(1-hydroxypropan-2-yl)-5-(trifluoromethyl)benzamide</common-name>
  <description>3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-methylsulfonylamino]-n-(1-hydroxypropan-2-yl)-5-(trifluoromethyl)benzamide is a chemical compound with the formula C28H28Cl2F3N3O4S. With an average molecular weight of 630.50 g/mol, 3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-methylsulfonylamino]-n-(1-hydroxypropan-2-yl)-5-(trifluoromethyl)benzamide is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>68631346</pubchem-id>
  <chemical-formula>C28H28Cl2F3N3O4S</chemical-formula>
  <weight>630.5</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">2026-08-31T11:51:18Z</created-at>
  <updated-at type="dateTime">2026-08-31T11:51:18Z</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(CO)NC(=O)C1=CC(=CC(=C1)N(C2CN(C2)C(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)S(=O)(=O)C)C(F)(F)F</moldb-smiles>
  <moldb-formula>C28H28Cl2F3N3O4S</moldb-formula>
  <moldb-inchi>InChI=1S/C28H28Cl2F3N3O4S/c1-17(16-37)34-27(38)20-11-21(28(31,32)33)13-24(12-20)36(41(2,39)40)25-14-35(15-25)26(18-3-7-22(29)8-4-18)19-5-9-23(30)10-6-19/h3-13,17,25-26,37H,14-16H2,1-2H3,(H,34,38)</moldb-inchi>
  <moldb-inchikey>CVPMSFUZFFYDBR-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">629.1129674</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.3</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>CHEM343881</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>3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-methylsulfonylamino]-n-(1-hydroxypropan-2-yl)-5-(trifluoromethyl)benzamide</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 nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0298324</sync-id>
  <structure-inchikey>CVPMSFUZFFYDBR-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40010000000000000000c00000002400000000000000000000000082000000000000001000000001000000020000000000000002000000000004000022000000000000000000400000000000000000000020080004000800000000001000000000000000014480000000000000104000004000020100000000000000000000100000000040022000008200000000000082000000000000000000000000084000000002000040000000000400084002000040000000040000080000000000000000000010004000000000000000000000000050000000000000000200000000000000000000000004000040000000000400800000000400000000000020400000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAApAAAALAAAAIABBgBgAAAAAQMGAGAAAAAD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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:46:30Z</structure-indexed-at>
</compound>
