<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">329737</id>
  <title nil="true"/>
  <common-name>7,9-dichloro-5-(2-chlorophenyl)-2-phenyl-5,10b-dihydro-1h-pyrazolo[1,5-c][1,3]benzoxazine</common-name>
  <description>7,9-dichloro-5-(2-chlorophenyl)-2-phenyl-5,10b-dihydro-1h-pyrazolo[1,5-c][1,3]benzoxazine is a chemical compound with the formula C22H15Cl3N2O. It has an average molecular weight of 429.70 g/mol.</description>
  <cas>303104-33-8</cas>
  <pubchem-id>4048504</pubchem-id>
  <chemical-formula>C22H15Cl3N2O</chemical-formula>
  <weight>429.7</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">2026-08-30T10:09:04Z</created-at>
  <updated-at type="dateTime">2026-08-30T10:09:04Z</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>C1C2C3=C(C(=CC(=C3)Cl)Cl)OC(N2N=C1C4=CC=CC=C4)C5=CC=CC=C5Cl</moldb-smiles>
  <moldb-formula>C22H15Cl3N2O</moldb-formula>
  <moldb-inchi>InChI=1S/C22H15Cl3N2O/c23-14-10-16-20-12-19(13-6-2-1-3-7-13)26-27(20)22(28-21(16)18(25)11-14)15-8-4-5-9-17(15)24/h1-11,20,22H,12H2</moldb-inchi>
  <moldb-inchikey>MBMDJBFJGOBUQY-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">428.024996</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.7</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>CHEM325630</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>7,9-dichloro-5-(2-chlorophenyl)-2-phenyl-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>CED0280298</sync-id>
  <structure-inchikey>MBMDJBFJGOBUQY-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400002000000000000000000000000000000000000000000080010000000000000000000000000000000002102004000000000000040000000000000000000080000400400000000000000000000000800000000000020000008102000000000000000000000000000000110000000000022100000000120001000000101102000000000000800000000000000000800000000100400000000004000000000200008008000000000000080000400000000000000000000000000000001000000000000000000000000000000000000010000000000000001200000000000000000000000000000040000000000000000000400000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ�������������������� ���€���`�������`������@(������@(������@(������@h�������@(������@h�������� ������ ������(�������`�������(�������(�������(������@(������@h�������@h�������@h�������@h�������@h�������@(������@h�������@h�������@h�������@h�������@(������� �������������h���h���h���h���h�����	��
 
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�����������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:32:29Z</structure-indexed-at>
</compound>
