321790 <common-name>Methyl 4-[[(5-chloro-2-hydroxy-3-methylphenyl)-(4-chlorophenyl)methylidene]amino]pentanoate</common-name> <description>Methyl 4-[[(5-chloro-2-hydroxy-3-methylphenyl)-(4-chlorophenyl)methylidene]amino]pentanoate is a compound with the formula C20H21Cl2NO3. It has an average molecular weight of 394.30 g/mol.</description> <cas>104775-06-6</cas> <pubchem-id>3025649</pubchem-id> <chemical-formula>C20H21Cl2NO3</chemical-formula> <weight>394.3</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">2026-08-29T21:28:38Z</created-at> <updated-at type="dateTime">2026-08-29T21:28:38Z</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>CC1=CC(=CC(=C1O)C(=NC(C)CCC(=O)OC)C2=CC=C(C=C2)Cl)Cl</moldb-smiles> <moldb-formula>C20H21Cl2NO3</moldb-formula> <moldb-inchi>InChI=1S/C20H21Cl2NO3/c1-12-10-16(22)11-17(20(12)25)19(14-5-7-15(21)8-6-14)23-13(2)4-9-18(24)26-3/h5-8,10-11,13,25H,4,9H2,1-3H3</moldb-inchi> <moldb-inchikey>KARJHBOHGDBGHY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">393.0898489</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.2</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>CHEM317683</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>Methyl 4-[[(5-chloro-2-hydroxy-3-methylphenyl)-(4-chlorophenyl)methylidene]amino]pentanoate</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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Diphenylmethanes</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0272505</sync-id> <structure-inchikey>KARJHBOHGDBGHY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40020000000000000000800000000000000000200000008010200080040000000000001000000000000000008000000000000000080000800000000000100000000000000000400000000000000000000020000000000100000004001000000000000000010080000040000000100000020000000000001000000000100000000000000040020000000000000000000080000001000000000000008000000000000000000000000000000000086100000000000000000000000001000000000000000008000000002000000000000000000010004000002000001200000000000000000000000000000042000000000400000000000000000100000000000000</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�B����������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:26:31Z</structure-indexed-at> </compound>