350487 <common-name>4-[(4-fluorophenyl)methyl]-2-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]azepan-4-yl]phthalazin-1-one</common-name> <description>4-[(4-fluorophenyl)methyl]-2-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]azepan-4-yl]phthalazin-1-one is a chemical compound with the formula C30H29F4N3O. With an average molecular weight of 523.60 g/mol, 4-[(4-fluorophenyl)methyl]-2-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]azepan-4-yl]phthalazin-1-one is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>3066524</pubchem-id> <chemical-formula>C30H29F4N3O</chemical-formula> <weight>523.6</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">2026-08-31T15:35:18Z</created-at> <updated-at type="dateTime">2026-08-31T15:35:18Z</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>C1CC(CCN(C1)CCC2=CC(=CC=C2)C(F)(F)F)N3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=C(C=C5)F</moldb-smiles> <moldb-formula>C30H29F4N3O</moldb-formula> <moldb-inchi>InChI=1S/C30H29F4N3O/c31-24-12-10-22(11-13-24)20-28-26-8-1-2-9-27(26)29(38)37(35-28)25-7-4-16-36(18-15-25)17-14-21-5-3-6-23(19-21)30(32,33)34/h1-3,5-6,8-13,19,25H,4,7,14-18,20H2</moldb-inchi> <moldb-inchikey>AATWNLJMROIPCT-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">523.2246752</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>CHEM346380</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>4-[(4-fluorophenyl)methyl]-2-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]azepan-4-yl]phthalazin-1-one</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>Diazanaphthalenes</klass> <subklass>Benzodiazines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0300792</sync-id> <structure-inchikey>AATWNLJMROIPCT-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>8020008020000000000000000000000000200000000000000000000002200000000000000020800000000000000200000000000001800000000000000000000000001000000000200000000000100000000000000400000000000040000000010000001000000000000201000000000000000000001008010000012000008000000800000040000000000001000000000010000c000000000020000400000004018008000000204202000004000000a000000000200000000000040000000080000000000000020000000000000000000220000000010200000000000000000040000040020000820000080000000040000040000000</structure-fingerprint> 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