S63845
Bezeichnung:S63845
CAS-Nr1799633-27-4
Englisch Name:S63845
CBNumberCB83147768
SummenformelC39H37ClF4N6O6S
Molgewicht829.26
MOL-Datei1799633-27-4.mol
S63845 physikalisch-chemischer Eigenschaften
| Siedepunkt | 852.6±65.0 °C(Predicted) |
| Dichte | 1.46±0.1 g/cm3(Predicted) |
| storage temp. | 4°C, protect from light, stored under nitrogen |
| Löslichkeit | insoluble in H2O; ≥20 mg/mL in MeOH; ≥41.45 mg/mL in DMSO |
| Aggregatzustand | A crystalline solid |
| pka | 2.54±0.11(Predicted) |
| Farbe | White to yellow |
| InChIKey | ZFBHXVOCZBPADE-JZEPPUFONA-N |
| SMILES | C1C=C(OCC2=CC=NN2CC(F)(F)F)C(C[C@@H](OC2C3C(C4C=CC(OCCN5CCN(C)CC5)=C(Cl)C=4C)=C(C4=CC=C(F)O4)SC=3N=CN=2)C(=O)O)=CC=1 |&1:17,r| |
