Chemical Properties
Boiling point | 574.3±30.0 °C(Predicted) |
Density | 1.32±0.1 g/cm3(Predicted) |
solubility | DMF: 30 mg/ml; DMF:PBS (pH 7.2) (1:2): 0.33 mg/ml; DMSO: 10 mg/ml |
form | A crystalline solid |
pka | 15.17±0.60(Predicted) |
InChIKey | HARRKNSQXBRBGZ-BOBURQISNA-N |
SMILES | C[C@]12CC[C@]3([H])[C@@]4([H])CC[C@](O)(C)C[C@@]4([H])CC[C@@]3([H])[C@]1([H])CC[C@@H]2C(=O)CN1N=CC(C#N)=C1 |&1:1,4,6,10,14,18,20,24,r| |