<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">346509</id>
  <title nil="true"/>
  <common-name>2-chloro-n-[2,6-di(propan-2-yl)phenyl]-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide</common-name>
  <description>2-chloro-n-[2,6-di(propan-2-yl)phenyl]-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide is a chemical compound with the formula C27H28ClNO2. It has an average molecular weight of 434.00 g/mol.</description>
  <cas>144170-09-2</cas>
  <pubchem-id>3072810</pubchem-id>
  <chemical-formula>C27H28ClNO2</chemical-formula>
  <weight>434</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">2026-08-31T09:59:15Z</created-at>
  <updated-at type="dateTime">2026-08-31T09:59:15Z</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(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C2C3=CC=CC=C3COC4=C2C=C(C=C4)Cl</moldb-smiles>
  <moldb-formula>C27H28ClNO2</moldb-formula>
  <moldb-inchi>InChI=1S/C27H28ClNO2/c1-16(2)20-10-7-11-21(17(3)4)26(20)29-27(30)25-22-9-6-5-8-18(22)15-31-24-13-12-19(28)14-23(24)25/h5-14,16-17,25H,15H2,1-4H3,(H,29,30)</moldb-inchi>
  <moldb-inchikey>MTVLOCHSRQDIMC-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">433.1808568</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.8</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>CHEM342402</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>2-chloro-n-[2,6-di(propan-2-yl)phenyl]-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide</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>Benzoxepines</klass>
  <subklass>Dibenzoxepines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0296862</sync-id>
  <structure-inchikey>MTVLOCHSRQDIMC-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000000000000040000000000400000000000080000400000000001000000000000000000000180400000000000000400000000000000000000000000000400004000200500000000020800000004000000000000000000000000000010080000000000000100000000000020000000000000000000000101011000040000000800000000000000080000000200100000000080000000000000000000008000000000000080000000000000000000000000000420000000000000000000000000000000000000000000030000008000000002200001000000000008002000000000040000000400400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>7214c200ad32864081001b648128a0001000140081052000003d20448224494c5c220854138000000100410800c08000046102a4c08d3201062e753904a04090c7110c0812800610009010c0127202000804858151211f3342040762402259040c28052f0048a22040088480ddb4004d288680508101e1047118264002710002105402194ef8820808060254ca2c0008391d881246401e8ad02008a061c0008080d3101010b3c12002000968057c37900ac00402ab43484010a04a100cc00212a00102a404d0003301808484541502900c010010631050000d6002002a00030091304b100a81412011008403511220820850243094c2840e1108108052800606</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAfAAAAIgAAAIABBgBgAAAAAQMGAGAAAAAD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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:45:14Z</structure-indexed-at>
</compound>
