300901 <common-name>7-ethyl-5-(2-fluorophenyl)-1-methyl-3h-thieno[2,3-e][1,4]diazepin-2-one</common-name> <description>7-ethyl-5-(2-fluorophenyl)-1-methyl-3h-thieno[2,3-e][1,4]diazepin-2-one belongs to the thienodiazepines, a class of organoheterocyclic compounds within the organic compounds. This compound has the formula C16H15FN2OS and an average molecular weight of 302.40 g/mol.</description> <cas nil="true"/> <pubchem-id>3039352</pubchem-id> <chemical-formula>C16H15FN2OS</chemical-formula> <weight>302.4</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">2026-08-28T17:51:23Z</created-at> <updated-at type="dateTime">2026-08-28T17:51:23Z</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>CCC1=CC2=C(S1)N(C(=O)CN=C2C3=CC=CC=C3F)C</moldb-smiles> <moldb-formula>C16H15FN2OS</moldb-formula> <moldb-inchi>InChI=1S/C16H15FN2OS/c1-3-10-8-12-15(11-6-4-5-7-13(11)17)18-9-14(20)19(2)16(12)21-10/h4-8H,3,9H2,1-2H3</moldb-inchi> <moldb-inchikey>ZQQRSUHXMKFRJH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">302.0889124</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3</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>CHEM296794</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>7-ethyl-5-(2-fluorophenyl)-1-methyl-3h-thieno[2,3-e][1,4]diazepin-2-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>Thienodiazepines</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0252155</sync-id> <structure-inchikey>ZQQRSUHXMKFRJH-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000008010000002000000000000000000000000000800002000020000000008000002000000000000000001000040000000000000002000000000000000000000080000020800010000010000008080000000400000002000000000000000000104000000000020100000000000090200000000080000040000000800000000000004000000000000100001000000000000008000000000000000000000000080000000000000000000000000000000000000080000000000000000000000000000000000000000000000000000200000000000100000000008000000040000000000000800000000000002000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAVAAAAFwAAAIABBgBgAAAAAQMGAGAAAAAC AgZAKAAAAAMEBkBoAAAAAwMBBkAoAAAAAwQGQCgAAAADBBBAKAAAAAMCBwAo AAAAAwMGACgAAAADBAgAKAAAAAMCBgBgAAAAAgIHACgAAAADAwYAKAAAAAME BkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEG QCgAAAADBAkAIAAAAAEGAGAAAAABAwsAAQABAgACA2gMAwRoDAQFaAwFBmgM BQcgBwggCAkoAggKAAoLAAsMKAIMDSANDmgMDg9oDA8QaAwQEWgMERJoDBIT AAcUAAYCaAwMBCASDWgMQgMAAAAFAgMEBQYHBwUEDAsKCAYODxAREg0XBAAA AAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:10:48Z</structure-indexed-at> </compound>