| InChIKey | ZMTYENXGROJCEA-LNKPQSDASA-N |
| Inchi | InChI=1S/C22H24N2O4/c1-23-7-6-22-14-3-2-4-15(25)20(14)24-18(27)10-16-19(21(22)24)13(9-17(22)26)12(11-23)5-8-28-16/h2-5,13,16,19,21,25H,6-11H2,1H3/t13-,16-,19-,21-,22+/m0/s1 |
| SMILES | CN1CC2=CCO[C@@H]3[C@@H]4[C@H]2CC(=O)[C@]2(C5C=CC=C(O)C=5N(C(C3)=O)[C@H]24)CC1 |
| LogP | 1.61770 |
| PSA | 70.08000 |
| 折射率 | 1.6500 (estimate) |
| 沸点 | 508.07°C (rough estimate) |
| 熔点 | 286-290 ºC (dec.) |
| 溶解度 | Very 微溶 (0.91 g/L) (25 ºC), |
| 颜色与性状 | Powder |
| 比旋光度 | D22 +80° (c = 0.5 in alc) |
| 密度 | 1.44±0.1 g/cm3 (20 ºC 760 Torr), |
| 精确分子量 | 380.17400 |
| 氢键供体数量 | 1 |
| 氢键受体数量 | 5 |
| 可旋转化学键数量 | 0 |
| 同位素质量 | 380.17360725 g/mol |
| 重原子数量 | 28 |
| 复杂度 | 766 |
| 同位素原子数量 | 0 |
| 确定原子立构中心数量 | 5 |
| 不确定原子立构中心数量 | 0 |
| 确定化学键立构中心数量 | 0 |
| 不确定化学键立构中心数量 | 0 |
| 共价键单元数量 | 1 |
| 疏水参数计算参考值（XlogP） | -0.1 |
| 互变异构体数量 | 8 |
| 表面电荷 | 0 |
| 拓扑分子极性表面积 | 70.1Ų |
| 分子量 | 380.4 |
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