| Melting point |
138-140°C |
| Boiling point |
690.0±55.0 °C(Predicted) |
| Density |
1.313 |
| storage temp. |
Keep in dark place,Inert atmosphere,Store in freezer, under -20°C |
| solubility |
Chloroform (Slightly, Heated), Methanol (Slightly) |
| form |
Solid |
| pka |
13.51±0.70(Predicted) |
| color |
White to Pale Yellow |
| optical activity |
[α]/D -16 to -22°, c =0.5 in methanol |
| InChI |
1S/C21H24N4O2S/c22-21-25-18(14-28-21)12-20(27)24-17-8-6-15(7-9-17)10-11-23-13-19(26)16-4-2-1-3-5-16/h1-9,14,19,23,26H,10-13H2,(H2,22,25)(H,24,27)/t19-/m0/s1 |
| InChIKey |
PBAPPPCECJKMCM-IBGZPJMESA-N |
| SMILES |
S1C=C(CC(NC2=CC=C(CCNC[C@H](O)C3=CC=CC=C3)C=C2)=O)N=C1N |
| CAS DataBase Reference |
223673-61-8 |