348984 <common-name>2-[5-(4-chlorophenyl)-3-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-ylethanone</common-name> <description>2-[5-(4-chlorophenyl)-3-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-ylethanone is a chemical compound with the formula C29H21ClN4O3S. With an average molecular weight of 541.00 g/mol, 2-[5-(4-chlorophenyl)-3-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-ylethanone is a heavy molecule.</description> <cas>78807-77-9</cas> <pubchem-id>3061190</pubchem-id> <chemical-formula>C29H21ClN4O3S</chemical-formula> <weight>541</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">2026-08-31T13:18:17Z</created-at> <updated-at type="dateTime">2026-08-31T13:18:17Z</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>C1C(N(N=C1C2=CC=C(C=C2)Cl)CC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=C(C=C6)[N+](=O)[O-]</moldb-smiles> <moldb-formula>C29H21ClN4O3S</moldb-formula> <moldb-inchi>InChI=1S/C29H21ClN4O3S/c30-21-13-9-19(10-14-21)23-17-26(20-11-15-22(16-12-20)34(36)37)32(31-23)18-29(35)33-24-5-1-3-7-27(24)38-28-8-4-2-6-25(28)33/h1-16,26H,17-18H2</moldb-inchi> <moldb-inchikey>TXYQYMYIETWWHJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">540.1022894</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.7</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>CHEM344877</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>2-[5-(4-chlorophenyl)-3-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-ylethanone</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>Benzothiazines</klass> <subklass>Phenothiazines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0299311</sync-id> <structure-inchikey>TXYQYMYIETWWHJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000080008000000000000000000000000000000000840140000000000000000000000000000000000020000400000000000000040000000000000000000000004000000000000000000000200000100000000010000001004000400000000100a0000200000000000000800004020100040000000001000040900100000000020000800000000000000000800000001100000000000000000021001102408000000000000000480000000000000000000000000000000000000000000000000040000000000000010000000010000000000000000200000000000010420000000000000040000000000400000000401000000000000000000008</structure-fingerprint> <structure-pattern-fingerprint>7134c0108d13867081805b658538ba001a08140281052050803d60708224e84d6c220854138004000900490840c0000104600225c08d3265016e653980a04010c7110c8912901450c0901060127202000804858151691f3340441d62442258440c280d2f804c2229620c8480dd94024ea08680508901c506793824600271020610441a184ef882080c060250c82c00e8391d98134c449e8a51a38c2060c0448dc0d3301700b2c2300a045d68057c37145ac0c402a941084018a04a304cc00212a11002e464d8213319818684555543990cc10010434050300d6183842a0103209138499018a10124334c0481d91260820a522e30b4c2043e1308908052000606</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAmAAAAKwAAAIABBgBgAAAAAgIGAGAAAAAD AQcAKAAAAAMDBwAoAAAAAwMGACgAAAADBAZAKAAAAAMEBkBoAAAAAwMBBkBo AAAAAwMBBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwERACAAAAABBgBgAAAA AgIGACgAAAADBAgAKAAAAAMCBwAoAAAAAwMGQCgAAAADBAZAaAAAAAMDAQZA aAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMEEAAgAAAAAgZAKAAA AAMEBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAA AwQGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMB BkBoAAAAAwMBByAqAAAAAQMECAAoAAAAAwIIICoAAAD/AwELAAEAAQIAAgMg AwQoAgQFIAUGaAwGB2gMBwhoDAgJaAwJCmgMCAsAAgwADA0ADQ4oAg0PIA8Q IBARaAwREmgMEhNoDBMUaAwUFWgMFRYAFhcAFxhoDBgZaAwZGmgMGhtoDBsc aAwBHQAdHmgMHh9oDB8gaAwgIWgMISJoDCAjICMkKAIjJSAEAAAKBWgMHA8g FRBoDBwXaAwiHWgMQgYAAAAFAAECAwQGBgcICQoFBhESExQVEAYWFxwPEBUG GBkaGxwXBh4fICEiHRcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:47:11Z</structure-indexed-at> </compound>