| 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) |
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