Inchi | 1S/C26H28N2O6/c29-24(27-14-16-34-18-17-33-15-13-26(31)32)11-12-25(30)28-19-22-7-2-1-5-20(22)9-10-21-6-3-4-8-23(21)28/h1-8H,11-19H2,(H,27,29)(H,31,32) |
InChIKey | IZLCAESRDHFGLF-UHFFFAOYSA-N |
SMILES | O=C(C([H])([H])C([H])([H])C(N([H])C([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])C(=O)O[H])=O)N1C2=C([H])C([H])=C([H])C([H])=C2C#CC2=C([H])C([H])=C([H])C([H])=C2C1([H])[H] |
氢键供体数量 | 2 |
氢键受体数量 | 6 |
重原子数量 | 34 |
可旋转化学键数量 | 12 |
复杂度 | 757 |
疏水参数计算参考值(XlogP) | 1.3 |
拓扑分子极性表面积 | 105 |