| Melting point |
276 °C |
| Density |
1.577±0.06 g/cm3(Predicted) |
| storage temp. |
Sealed in dry,Store in freezer, under -20°C |
| solubility |
insoluble in EtOH; insoluble in H2O; ≥16.85 mg/mL in DMSO |
| pka |
9.84±0.43(Predicted) |
| form |
Off-white to yellow solid. |
| color |
White to Orange to Green |
| InChI |
1S/C18H13BrN4O/c1-2-4-17(24)22-14-7-8-16-15(10-14)18(21-11-20-16)23-13-6-3-5-12(19)9-13/h3,5-11H,1H3,(H,22,24)(H,20,21,23) |
| InChIKey |
BTYYWOYVBXILOJ-UHFFFAOYSA-N |
| SMILES |
Brc1cc(ccc1)Nc2ncnc3c2cc(cc3)NC(=O)C#CC |