347664 <common-name>2-[[4-benzyl-5-[(4-bromophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-n-naphthalen-1-ylacetamide</common-name> <description>2-[[4-benzyl-5-[(4-bromophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-n-naphthalen-1-ylacetamide is a chemical compound with the formula C28H23BrN4O2S. With an average molecular weight of 559.50 g/mol, 2-[[4-benzyl-5-[(4-bromophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-n-naphthalen-1-ylacetamide is a heavy molecule.</description> <cas>538337-12-1</cas> <pubchem-id>3685227</pubchem-id> <chemical-formula>C28H23BrN4O2S</chemical-formula> <weight>559.5</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">2026-08-31T11:27:50Z</created-at> <updated-at type="dateTime">2026-08-31T11:27:50Z</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>C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)NC3=CC=CC4=CC=CC=C43)COC5=CC=C(C=C5)Br</moldb-smiles> <moldb-formula>C28H23BrN4O2S</moldb-formula> <moldb-inchi>InChI=1S/C28H23BrN4O2S/c29-22-13-15-23(16-14-22)35-18-26-31-32-28(33(26)17-20-7-2-1-3-8-20)36-19-27(34)30-25-12-6-10-21-9-4-5-11-24(21)25/h1-16H,17-19H2,(H,30,34)</moldb-inchi> <moldb-inchikey>XEMURXGXXDVTBX-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">558.07251</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.2</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>CHEM343557</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-[[4-benzyl-5-[(4-bromophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-n-naphthalen-1-ylacetamide</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>Naphthalenes</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0298002</sync-id> <structure-inchikey>XEMURXGXXDVTBX-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000800002000800000000000000000000000000000000000000000000000002200104000000002084000000000000000000000000000000000000080000000000000000000000000022000000000100000200800050000000000000210000000000000000000000000400000100000000000000000000000001000000200001800080004000010084080000000100000080000000000000000000000000000000040000081000000000000000490000000000002000000000000000040000000001000100004000000010008000000000000220040000000000008000000005000040000000000400000008010000000000000000000080</structure-fingerprint> 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