346428 <common-name>3-[(5z)-5-[[3-(4-butoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid</common-name> <description>3-[(5z)-5-[[3-(4-butoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid is a chemical compound with the formula C27H27N3O4S2. With an average molecular weight of 521.70 g/mol, 3-[(5z)-5-[[3-(4-butoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid is a heavy molecule.</description> <cas>623940-52-3</cas> <pubchem-id>5915030</pubchem-id> <chemical-formula>C27H27N3O4S2</chemical-formula> <weight>521.7</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">2026-08-31T09:51:57Z</created-at> <updated-at type="dateTime">2026-08-31T09:51:57Z</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>CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCC(=O)O)C4=CC=CC=C4)C</moldb-smiles> <moldb-formula>C27H27N3O4S2</moldb-formula> <moldb-inchi>InChI=1S/C27H27N3O4S2/c1-3-4-14-34-22-11-10-19(15-18(22)2)25-20(17-30(28-25)21-8-6-5-7-9-21)16-23-26(33)29(27(35)36-23)13-12-24(31)32/h5-11,15-17H,3-4,12-14H2,1-2H3,(H,31,32)/b23-16-</moldb-inchi> <moldb-inchikey>LWXKBPQGHUDWHO-KQWNVCNZSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">521.1442987</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.7</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>CHEM342321</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>3-[(5z)-5-[[3-(4-butoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid</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>Azoles</klass> <subklass>Pyrazoles</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0296781</sync-id> <structure-inchikey>LWXKBPQGHUDWHO-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000000000000008002400000000000000000000000000001000000000000004060020000201000000000000020040000000000000000008000000000000000000000000000000900000000000000200000100003000002000000000000000000200100000800000001001100008000080001001080400000000000000000000041c0000000800000000000004000800000000100000000000000000000010000000000000000000000080100000000000020090000020200040002000000000008000000080000000000000000000000000000042800400200000000000000000040000000000040000000810400000000080030000000000a00000008</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��� ��(��� ��(��� �� ��(���������������(��� � ��h���h�� h� !h�!"h��#� �h���h����"�h�B������ �������� ��������� !"�����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:45:10Z</structure-indexed-at> </compound>