Inchi | 1S/C32H50N4O2/c1-20(2)21-10-15-32(27(38)34-18-19-35-36-33)17-16-30(6)22(26(21)32)8-9-24-29(5)13-12-25(37)28(3,4)23(29)11-14-31(24,30)7/h21-24,26H,1,8-19H2,2-7H3,(H,34,38)/t21-,22+,23-,24+,26+,29-,30+,31+,32-/m0/s1 |
InChIKey | XWDYQHIFHAUHJG-GKMZBMDBSA-N |
SMILES | O=C([C@]12C([H])([H])C([H])([H])[C@@]([H])(C(=C([H])[H])C([H])([H])[H])[C@]1([H])[C@@]1([H])C([H])([H])C([H])([H])[C@]3([H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])C(C(C([H])([H])[H])(C([H])([H])[H])[C@]4([H])C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@]1(C([H])([H])[H])C([H])([H])C2([H])[H])=O)N([H])C([H])([H])C([H])([H])N=[N+]=[N-] |
氢键供体数量 | 1 |
氢键受体数量 | 4 |
重原子数量 | 38 |
可旋转化学键数量 | 5 |
复杂度 | 1080 |
疏水参数计算参考值(XlogP) | 8.5 |
拓扑分子极性表面积 | 60.5 |