| Melting point |
236-238oC (dec.) |
| Boiling point |
649.8±55.0 °C(Predicted) |
| Density |
1.39±0.1 g/cm3(Predicted) |
| storage temp. |
2-8°C(protect from light) |
| solubility |
Dichloromethane (Slightly), DMSO (Slightly) |
| pka |
5.09±0.50(Predicted) |
| form |
Solid |
| color |
Off-White to Pale Yellow |
| InChI |
InChI=1S/C24H20ClN5O2/c1-2-31-23-11-21-18(10-20(23)27)24(15(12-26)13-29-21)30-16-6-7-22(19(25)9-16)32-14-17-5-3-4-8-28-17/h3-11,13H,2,14,27H2,1H3,(H,29,30) |
| InChIKey |
WRGKROVGVSWJMI-UHFFFAOYSA-N |
| SMILES |
N1C2C(=CC(N)=C(OCC)C=2)C(NC2=CC=C(OCC3=NC=CC=C3)C(Cl)=C2)=C(C#N)C=1 |