351472 <common-name>5-[3-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]-6h-benzo[b][1]benzothiepine-5-carbonitrile</common-name> <description>5-[3-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]-6h-benzo[b][1]benzothiepine-5-carbonitrile is a chemical compound with the formula C31H32N4OS. With an average molecular weight of 508.70 g/mol, 5-[3-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]-6h-benzo[b][1]benzothiepine-5-carbonitrile is a heavy molecule.</description> <cas>99756-35-1</cas> <pubchem-id>3063075</pubchem-id> <chemical-formula>C31H32N4OS</chemical-formula> <weight>508.7</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">2026-08-31T17:11:25Z</created-at> <updated-at type="dateTime">2026-08-31T17:11:25Z</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>C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC4(CC5=CC=CC=C5SC6=CC=CC=C64)C#N</moldb-smiles> <moldb-formula>C31H32N4OS</moldb-formula> <moldb-inchi>InChI=1S/C31H32N4OS/c32-22-30(21-24-9-4-6-13-27(24)37-28-14-7-5-12-26(28)30)15-8-18-34-19-16-31(17-20-34)29(36)33-23-35(31)25-10-2-1-3-11-25/h1-7,9-14H,8,15-21,23H2,(H,33,36)</moldb-inchi> <moldb-inchikey>YTPATQVZEIPRQD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">508.2296828</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.7</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>CHEM347365</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>5-[3-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]-6h-benzo[b][1]benzothiepine-5-carbonitrile</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>Benzothiepins</klass> <subklass>Dibenzothiepins</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0301772</sync-id> <structure-inchikey>YTPATQVZEIPRQD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80000000000000000000000000080000000000000000000000080000002200000000000000000404000000000000000000000000000040000000000000000000000000000000002c0000300020000140000000000000000002100002000000004000000000000000010201080400000008000000000000000040080000008000002000000042002000000001000000000800000200008000020000000080000000010880000000000000c000280000a200000000000000000000000040000000000000000000000000000008000000000200000000010000000040000000002040002000010000000000000000080000000000000008</structure-fingerprint> 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