350545 <common-name>5-[3-[4-(2-oxo-3h-benzimidazol-1-yl)piperidin-1-yl]propyl]-6h-benzo[b][1]benzothiepine-5-carbonitrile</common-name> <description>5-[3-[4-(2-oxo-3h-benzimidazol-1-yl)piperidin-1-yl]propyl]-6h-benzo[b][1]benzothiepine-5-carbonitrile is a chemical compound with the formula C30H30N4OS. It has an average molecular weight of 494.70 g/mol.</description> <cas>99756-34-0</cas> <pubchem-id>3063074</pubchem-id> <chemical-formula>C30H30N4OS</chemical-formula> <weight>494.7</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">2026-08-31T15:40:47Z</created-at> <updated-at type="dateTime">2026-08-31T15:40:47Z</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(CCC1N2C3=CC=CC=C3NC2=O)CCCC4(CC5=CC=CC=C5SC6=CC=CC=C64)C#N</moldb-smiles> <moldb-formula>C30H30N4OS</moldb-formula> <moldb-inchi>InChI=1S/C30H30N4OS/c31-21-30(20-22-8-1-5-12-27(22)36-28-13-6-2-9-24(28)30)16-7-17-33-18-14-23(15-19-33)34-26-11-4-3-10-25(26)32-29(34)35/h1-6,8-13,23H,7,14-20H2,(H,32,35)</moldb-inchi> <moldb-inchikey>DPJLAXXPKBQTQE-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">494.2140328</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.4</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>CHEM346438</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-(2-oxo-3h-benzimidazol-1-yl)piperidin-1-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>CED0300850</sync-id> <structure-inchikey>DPJLAXXPKBQTQE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000080000000010000000000000000080000000000000000000000000000002200000000000000000004000000000000000000000000000000000000000000000000000000000000002400003000000000000000000002000000021000000000000100000000080000000102010804000000081000000010000000000800000080000020000000420000000000010000000008000006080004000200000400800000002008800000000000008000280000a00002000000000000000000005000000000000000000000000000000800000000420000000101000000000000000000004000200003000000000000000008000000000000000a</structure-fingerprint> 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