7577 <common-name>N1-(2-METHOXY-4-METHYLBENZYL)-N2-(2-(PYRIDIN-2-YL) ETHYL)OXALAMIDE</common-name> <description nil="true"/> <cas>745047-97-6</cas> <pubchem-id nil="true"/> <chemical-formula>C18H21N3O3</chemical-formula> <weight nil="true"/> <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">2016-05-19T02:14:10Z</created-at> <updated-at type="dateTime">2026-04-06T11:01:23Z</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>COC1=C(CNC(=O)C(=O)NCCC2=CC=CC=N2)C=CC(C)=C1</moldb-smiles> <moldb-formula>C18H21N3O3</moldb-formula> <moldb-inchi>InChI=1S/C18H21N3O3/c1-13-6-7-14(16(11-13)24-2)12-21-18(23)17(22)20-10-8-15-5-3-4-9-19-15/h3-7,9,11H,8,10,12H2,1-2H3,(H,20,22)(H,21,23)</moldb-inchi> <moldb-inchikey>DWXUCYSOIKPLJM-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">327.3776</moldb-average-mass> <moldb-mono-mass type="decimal">327.158291553</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM006472</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00121188</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>80.32000000000001</moldb-polar-surface-area> <moldb-refractivity>90.62629999999999</moldb-refractivity> <moldb-polarizability>35.83200484503161</moldb-polarizability> <moldb-rotatable-bond-count>7</moldb-rotatable-bond-count> <moldb-acceptor-count>4</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>12.223174804608101</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>4.545168925803865</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>1.75</moldb-alogps-logp> <moldb-alogps-logs>-3.78</moldb-alogps-logs> <moldb-alogps-solubility>5.45e-02 g/l</moldb-alogps-solubility> </compound>