| Melting point |
298-300°C |
| alpha |
D20 +71.0° |
| Boiling point |
679.1±55.0 °C(Predicted) |
| Density |
1.51±0.1 g/cm3(Predicted) |
| Flash point |
2℃ |
| storage temp. |
Sealed in dry,2-8°C |
| solubility |
DMSO: soluble20mg/mL, clear |
| form |
powder |
| pka |
16.68±0.40(Predicted) |
| color |
white to beige |
| optical activity |
[α]/D +68 to +78°, c = 1 in chloroform-d |
| Henry's Law Constant |
2.0×1012 mol/(m3Pa) at 25℃, HSDB (2015) |
| BCS Class |
4 |
| Stability |
Unstable in Methanol |
| Major Application |
pharmaceutical (small molecule) |
| InChI |
InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1 |
| InChIKey |
WOXKDUGGOYFFRN-IIBYNOLFSA-N |
| SMILES |
N1C2=C(C=CC=C2)C2C[C@]3([H])C(=O)N(C)CC(=O)N3[C@H](C3=CC=C4OCOC4=C3)C1=2 |
| CAS DataBase Reference |
171596-29-5(CAS DataBase Reference) |
