6-(7-Chloro-1,8-naphthyridin-2-yl)-7-oxo-2,3,6,7-tetrahydro-5H-[1,4]dithiino[2,3-c]pyrrol-5-yl 4-propionyl-1-piperazinecarboxylate
[CAS# 76535-71-2]

Identification

• Name: 6-(7-Chloro-1,8-naphthyridin-2-yl)-7-oxo-2,3,6,7-tetrahydro-5H-[1,4]dithiino[2,3-c]pyrrol-5-yl 4-propionyl-1-piperazinecarboxylate
• Synonyms: ( -)-6-(7-Chlor-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5H-1,4-dithiixino(2,3-c)pyrrol-5-yl 4-propionyl-1-piperazincarboxylat; [6-(7-chloro-1,8-naphthyridin-2-yl)-5-oxo-3,7-dihydro-2H-[1,4]dithiino[2,3-c]pyrrol-7-yl] 4-propanoylpiperazine-1-carboxylate; 37162-RP
• Molecular Formula: C₂₂H₂₂ClN₅O₄S₂
• Molecular Weight: 520.02
• CAS Registry Number: 76535-71-2
• EINECS: 278-486-0
• SMILES: CCC(=O)N1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=C(C=C4)C=CC(=N5)Cl)SCCS3
• InChI: 1S/C22H22ClN5O4S2/c1-2-16(29)26-7-9-27(10-8-26)22(31)32-21-18-17(33-11-12-34-18)20(30)28(21)15-6-4-13-3-5-14(23)24-19(13)25-15/h3-6,21H,2,7-12H2,1H3
• InChIKey: IBAUKGNDWVSETP-UHFFFAOYSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Boiling point: 735.8±60.0°C at 760 mmHg (Cal.)
• Flash point: 398.8±32.9°C (Cal.)