325521 <common-name>9-chloro-5-methyl-5-(4-nitrophenyl)-2-thiophen-2-yl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine</common-name> <description>9-chloro-5-methyl-5-(4-nitrophenyl)-2-thiophen-2-yl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine is a chemical compound with the formula C21H16ClN3O3S. It has an average molecular weight of 425.90 g/mol.</description> <cas>332062-69-8</cas> <pubchem-id>4248922</pubchem-id> <chemical-formula>C21H16ClN3O3S</chemical-formula> <weight>425.9</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">2026-08-30T03:19:35Z</created-at> <updated-at type="dateTime">2026-08-30T03:19:35Z</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(N2C(CC(=N2)C3=CC=CS3)C4=C(O1)C=CC(=C4)Cl)C5=CC=C(C=C5)[N+](=O)[O-]</moldb-smiles> <moldb-formula>C21H16ClN3O3S</moldb-formula> <moldb-inchi>InChI=1S/C21H16ClN3O3S/c1-21(13-4-7-15(8-5-13)25(26)27)24-18(12-17(23-24)20-3-2-10-29-20)16-11-14(22)6-9-19(16)28-21/h2-11,18H,12H2,1H3</moldb-inchi> <moldb-inchikey>YEKGZQDEYZKFOY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">425.0600902</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.5</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>CHEM321414</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>9-chloro-5-methyl-5-(4-nitrophenyl)-2-thiophen-2-yl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine</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>Benzoxazines</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0276158</sync-id> <structure-inchikey>YEKGZQDEYZKFOY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20002000000020000000000000000000010000400000000000080010040000000000000000000000000000000002100000000000000080000000008000000100000000008400000000000000000000020800010000000001000000100400040000000000080000200000000100000000000020100000000000001000000101010000048000000800000000000000000000000001000000000000000000020200000008008000208000000080000000000000000000200000000000000000000000001002000000000000000008000000010000010000000000200000000000000420000000000000040000000400000100800405000000000000000010000</structure-fingerprint> 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