Chemical Properties
| Boiling point | 702.4±60.0 °C(Predicted) |
| Density | 1.23±0.1 g/cm3(Predicted) |
| storage temp. | Store at -20°C |
| solubility | DMSO : 100 mg/mL (208.35 mM; Need ultrasonic) |
| pka | 12.28±0.29(Predicted) |
| form | Solid |
| color | Off-white to yellow |
| InChI | InChI=1/C29H22ClN3O2/c1-4-19-6-5-7-20(14-19)24-16-28(34)33(3)26-13-10-22(15-25(24)26)29(35,27-17-31-18-32(27)2)21-8-11-23(30)12-9-21/h1,5-18,35H,2-3H3/t29-/s3 |
| InChIKey | JAHDAIPFBPPQHQ-NNFJEGBSNA-N |
| SMILES | N1(C)C2=C(C=C([C@@](C3=CC=C(Cl)C=C3)(O)C3N(C)C=NC=3)C=C2)C(C2=CC=CC(C#C)=C2)=CC1=O |&1:6,r| |
