339353 <common-name>3-(4-methylphenyl)sulfonyl-6-(phenoxymethyl)-2-phenyl-1,3-oxazinane</common-name> <description>3-(4-methylphenyl)sulfonyl-6-(phenoxymethyl)-2-phenyl-1,3-oxazinane is a chemical compound with the formula C24H25NO4S. It has an average molecular weight of 423.50 g/mol.</description> <cas>40798-80-9</cas> <pubchem-id>218559</pubchem-id> <chemical-formula>C24H25NO4S</chemical-formula> <weight>423.5</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">2026-08-30T22:38:51Z</created-at> <updated-at type="dateTime">2026-08-30T22:38:51Z</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=C(C=C1)S(=O)(=O)N2CCC(OC2C3=CC=CC=C3)COC4=CC=CC=C4</moldb-smiles> <moldb-formula>C24H25NO4S</moldb-formula> <moldb-inchi>InChI=1S/C24H25NO4S/c1-19-12-14-23(15-13-19)30(26,27)25-17-16-22(18-28-21-10-6-3-7-11-21)29-24(25)20-8-4-2-5-9-20/h2-15,22,24H,16-18H2,1H3</moldb-inchi> <moldb-inchikey>NWMMRRIBASSXNU-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">423.1504295</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.8</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>CHEM335246</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-(4-methylphenyl)sulfonyl-6-(phenoxymethyl)-2-phenyl-1,3-oxazinane</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>Toluenes</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0289774</sync-id> <structure-inchikey>NWMMRRIBASSXNU-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000000000008000020000000000000000000000000000000010000000000000000000032000008220000200040000000000000000000000000000000000000000002000000000000000000000208000000001000010000000040000000000008000000000000000000000000000000201000000000000000000001000020000400000008000000000008000000000000001000000000000000000010000004000040000000000000801000000000000000800000880000000000000000000000000000000000080000000810000000000000020000002000000020000800001000000000000400000000000c0008000000000000000000000000000</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���h���h�� ���h���h�B�������������� �� ������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:39:52Z</structure-indexed-at> </compound>