<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">335511</id>
  <title nil="true"/>
  <common-name>N-[4-[[4-[(4-methylpyrimidin-2-yl)-[2-(2h-tetrazol-5-yl)ethyl]sulfamoyl]phenyl]iminomethyl]phenyl]acetamide</common-name>
  <description>N-[4-[[4-[(4-methylpyrimidin-2-yl)-[2-(2h-tetrazol-5-yl)ethyl]sulfamoyl]phenyl]iminomethyl]phenyl]acetamide is a chemical compound with the formula C23H23N9O3S. With an average molecular weight of 505.60 g/mol, N-[4-[[4-[(4-methylpyrimidin-2-yl)-[2-(2h-tetrazol-5-yl)ethyl]sulfamoyl]phenyl]iminomethyl]phenyl]acetamide is a heavy molecule.</description>
  <cas>78311-77-0</cas>
  <pubchem-id>3060836</pubchem-id>
  <chemical-formula>C23H23N9O3S</chemical-formula>
  <weight>505.6</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">2026-08-30T17:41:50Z</created-at>
  <updated-at type="dateTime">2026-08-30T17:41:50Z</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=NC(=NC=C1)N(CCC2=NNN=N2)S(=O)(=O)C3=CC=C(C=C3)N=CC4=CC=C(C=C4)NC(=O)C</moldb-smiles>
  <moldb-formula>C23H23N9O3S</moldb-formula>
  <moldb-inchi>InChI=1S/C23H23N9O3S/c1-16-11-13-24-23(26-16)32(14-12-22-28-30-31-29-22)36(34,35)21-9-7-19(8-10-21)25-15-18-3-5-20(6-4-18)27-17(2)33/h3-11,13,15H,12,14H2,1-2H3,(H,27,33)(H,28,29,30,31)</moldb-inchi>
  <moldb-inchikey>QQBJXUCRHWLNGY-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">505.1644568</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.7</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>CHEM331404</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>N-[4-[[4-[(4-methylpyrimidin-2-yl)-[2-(2h-tetrazol-5-yl)ethyl]sulfamoyl]phenyl]iminomethyl]phenyl]acetamide</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>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Benzenesulfonamides</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0285982</sync-id>
  <structure-inchikey>QQBJXUCRHWLNGY-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000000000080000000000000000000000000010020000000000400000200000000000100040002000000200020000000000000000000000000000000002000008000000000000000001200002000000000020000100400000000000000100001011000001040008000d000400000000000000800000000001000440000000040000400000080200000000080080000000000000000001000000000400000040000000000000000290000000000000000080000080000000000000000000000000000000000000000000000200008000000002011002200000000000000008000000003002040000000000400000021000000000000080000004000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAkAAAAJwAAAIABBgBgAAAAAQMGQCgAAAAD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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:37:12Z</structure-indexed-at>
</compound>
