CAS号 |
660868-91-7 |
SMILES |
COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC |
Inchi |
InChI=1S/C22H18F3N3O4S/c1-30-16-7-14-15(8-17(16)31-2)28(11-27-14)19-9-18(20(33-19)21(26)29)32-10-12-5-3-4-6-13(12)22(23,24)25/h3-9,11H,10H2,1-2H3,(H2,26,29) |
InchiKey |
JSKUWFIZUALZLX-UHFFFAOYSA-N |
分子式 Formula |
C22H18F3N3O4S |
分子量 Molecular Weight |
477.46 |
闪点 FP |
322.2±34.3 ℃ |
沸点 Boiling point |
609.1±65.0 ℃ at 760 mmHg |
Polarizability极化度 |
45.7±0.5 10-24cm3 |
密度 Density |
1.5±0.1 g/cm3 |
蒸汽压 Vapor Pressure |
0.0±1.7 mmHg at 25℃ |
溶解度Solubility |
生物体外In Vitro:DMSO溶解度33.33 mg/mL(69.81 mM;Need ultrasonic)H2O< 0.1 mg/mL(insoluble) |
储藏条件 Storage conditions |
storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years) |