| Boiling point |
526.5±60.0 °C(Predicted) |
| Density |
1.51±0.1 g/cm3(Predicted) |
| storage temp. |
Store at -20°C |
| solubility |
≥22.19 mg/mL in DMSO; insoluble in H2O; ≥32.25 mg/mL in EtOH with ultrasonic |
| form |
Powder |
| pka |
3.29±0.20(Predicted) |
| color |
Off-white to light yellow |
| InChI |
1S/C19H21ClF3N5O2/c1-12-11-30-5-4-26(12)16-7-17(29)27-3-2-15(19(21,22)23)28(18(27)25-16)10-13-6-14(20)9-24-8-13/h6-9,12,15H,2-5,10-11H2,1H3/t12-,15+/m1/s1 |
| InChIKey |
SPDQRCUBFSRAFI-DOMZBBRYSA-N |
| SMILES |
FC(F)(F)[C@H]1N(c3[n]([c](cc(n3)N4[C@@H](COCC4)C)=O)CC1)Cc2cncc(c2)Cl |