In order to explore new energetic material with both good thermal stability and high safety performance， 4，8-di（2，4，6-trinitro-3，5-diaminophenyl）difurazanopyrazine （NADFP） was synthesized by substitution reaction using 1-chloro-2，4，6-trinitro-3，5-diaminobenzene and 4H，8H-difurazanopyrazine as raw materials. Its structure was characterized by nuclear magnetic resonance （¹H and ¹³C spectrum）， infrared spectroscopy and element analysis. The single crystal of NADFP·DMF was obtained by solvent evaporation method， and the crystal structure was determined by single crystal X-ray diffraction. Results show that NADFP·DMF belongs to monoclinic system， space group P2₁/c， a=7.854（3） Å， b=18.466（6） Å， c=11.093（3） Å， ρ=1.640 g·cm^-3. The inter-/intramolecular interactions were calculated by Hirshfeld surfaces analysis with hydrogen bond interactions accounting for 53.5%. The thermal behavior of NADFP was studied by DSC and TG/DTG methods， which show that its decomposition peaks are 337.2 ℃ and 368.8 ℃. The theoretical detonation performances and mechanical sensitivities of NADFP were investigated. The measured density is 1.81 g·cm^-3， the solid formation enthalpy is 827.1 kJ·mol^-1， the calculated detonation velocity and pressure are 7968 m·s^-1 and 36.0 GPa， respectively. The impact sensitivity is above 40 J， and the friction sensitivity is above 360 N. The overall performance of NADFP is obviously better than that of traditional heat-resistant explosive 2，2′，4，4′，6，6′-hexanitrostilbene.