<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">334331</id>
  <title nil="true"/>
  <common-name>9-bromo-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-5,10b-dihydro-1h-pyrazolo[1,5-c][1,3]benzoxazine</common-name>
  <description>9-bromo-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-5,10b-dihydro-1h-pyrazolo[1,5-c][1,3]benzoxazine is a chemical compound with the formula C23H18BrClN2O2. It has an average molecular weight of 469.80 g/mol.</description>
  <cas>303061-06-5</cas>
  <pubchem-id>3121910</pubchem-id>
  <chemical-formula>C23H18BrClN2O2</chemical-formula>
  <weight>469.8</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">2026-08-30T15:58:58Z</created-at>
  <updated-at type="dateTime">2026-08-30T15:58:58Z</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>COC1=CC=C(C=C1)C2=NN3C(C2)C4=C(C=CC(=C4)Br)OC3C5=CC=C(C=C5)Cl</moldb-smiles>
  <moldb-formula>C23H18BrClN2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C23H18BrClN2O2/c1-28-18-9-4-14(5-10-18)20-13-21-19-12-16(24)6-11-22(19)29-23(27(21)26-20)15-2-7-17(25)8-3-15/h2-12,21,23H,13H2,1H3</moldb-inchi>
  <moldb-inchikey>HEBAGMRSQMHYQB-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">468.02402</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.1</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>CHEM330224</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-bromo-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-5,10b-dihydro-1h-pyrazolo[1,5-c][1,3]benzoxazine</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>Benzoxazines</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0284809</sync-id>
  <structure-inchikey>HEBAGMRSQMHYQB-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000000000000000000000000000000000800000000000800100000000000000000000002000000000000020000000000000000c0000000000000200000080000000400000000000000000000000800000000100000200800102000200040000000080010040000000110000800400020100008000000001000000101112000040020000000000000000000004800000000000000000000000000001000000008000000000000000080000000000000000000000000000000000001080000000000000000000000100000080000010000000000000000200000000000010000000000000000040000008400000000000400000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAdAAAAIQAAAIABBgBgAAAAAQMIACgAAAAD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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:36:11Z</structure-indexed-at>
</compound>
