310399 <common-name>Ethyl 7-chloro-5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepine-3-carboxylate</common-name> <description>Ethyl 7-chloro-5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepine-3-carboxylate is a chemical compound with the formula C18H14ClFN2O3. It has an average molecular weight of 366.72 g/mol.</description> <cas nil="true"/> <pubchem-id>76974313</pubchem-id> <chemical-formula>C18H14ClFN2O3</chemical-formula> <weight>366.72</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">2026-08-29T05:38:07Z</created-at> <updated-at type="dateTime">2026-08-29T05:38:07Z</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>CCOC(=O)C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F</moldb-smiles> <moldb-formula>C18H14ClFN2O3</moldb-formula> <moldb-inchi>InChI=1S/C18H14ClFN2O3/c1-2-25-18(24)16-17(23)21-14-8-7-10(19)9-12(14)15(22-16)11-5-3-4-6-13(11)20/h3-9,16H,2H2,1H3,(H,21,23)/i7+1,8+1,9+1,10+1,12+1,14+1</moldb-inchi> <moldb-inchikey>CUCHJCMWNFEYOM-QSAXZWHZSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">366.0878272</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.9</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>CHEM306292</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>Ethyl 7-chloro-5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepine-3-carboxylate</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>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0261375</sync-id> <structure-inchikey>CUCHJCMWNFEYOM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>10000000000000040208000002004000002100004000000000000800000400000000000020000200000000080000020000002000000000010000000000000000000020000004000000000000000000000200000040001100000080000000004000000000100800000100000001000000000000000000000000000800000001000a0000048000000800000200000000000000000000100000000020000000000000000000000000000000000080001000000000000000000000000000000000000000000000000000000000000000000000010000000002000000200000000000000004000008000000040000000000400800000000000022000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������(�������(�������(�������`�������(�������(�������h�������@(������@(������@h�������@(������@h�������@h�������� ������(�������(������@(������@h�������@h�������@h�������@h�������@(����� � ������������� ��(���������(��� � h� �h���h�� h� �h���� � ��(��� ��h���h���h���h���h�������� h���h�B�������� ����� � �����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:17:51Z</structure-indexed-at> </compound>