| Boiling point |
782.9±60.0 °C(Predicted) |
| Density |
1.37±0.1 g/cm3(Predicted) |
| storage temp. |
2-8°C |
| solubility |
DMF:20.0(Max Conc. mg/mL);35.8(Max Conc. mM)
DMSO:60.0(Max Conc. mg/mL);107.41(Max Conc. mM)
Ethanol:20.0(Max Conc. mg/mL);35.8(Max Conc. mM)
Ethanol:PBS (pH 7.2) (1:1):0.5(Max Conc. mg/mL);0.9(Max Conc. mM) |
| pka |
11.73±0.70(Predicted) |
| form |
powder |
| color |
white to beige |
| optical activity |
[α]/D -66 to -76°, c = 0.5 in methanol |
| InChIKey |
DUCNNEYLFOQFSW-PMERELPUSA-N |
| SMILES |
C1N(C(C2=CC=CN2)=O)C[C@](C)(C(N)=O)C2N(CC3=CC=C(F)C=C3)N=C(C(NC3=CC(C)=C(OC)C(C)=C3)=O)C1=2 |
