Chemical Properties
| Boiling point | 648.0±65.0 °C(Predicted) |
| Density | 1.336±0.06 g/cm3(Predicted) |
| storage temp. | Store at -20°C |
| solubility | <2.31mg/ml in DMSO |
| pka | 2.63±0.20(Predicted) |
| form | Solid |
| color | Off-white to light yellow |
| InChI | InChI=1S/C25H23N3O4S/c1-2-16-12-21(15-28-13-18(14-28)25(29)30)33-22(16)23-26-24(32-27-23)17-8-10-20(11-9-17)31-19-6-4-3-5-7-19/h3-12,18H,2,13-15H2,1H3,(H,29,30) |
| InChIKey | DWVJASHDNJMDNH-UHFFFAOYSA-N |
| SMILES | N1(CC2SC(C3N=C(C4=CC=C(OC5=CC=CC=C5)C=C4)ON=3)=C(CC)C=2)CC(C(O)=O)C1 |
