InChIKey | QSBUWPJCGYJXBS-UHFFFAOYSA-N |
---|---|
Inchi | 1S/C32H31N3O5/c1-20-9-11-23(17-21(20)2)33-30(36)19-40-28-16-10-22(18-29(28)39-4)31-34-27-8-6-5-7-26(27)32(37)35(31)24-12-14-25(38-3)15-13-24/h5-18,31,34H,19H2,1-4H3,(H,33,36) |
SMILES | O=C1C2=C([H])C([H])=C([H])C([H])=C2N([H])C([H])(C2C([H])=C([H])C(=C(C=2[H])OC([H])([H])[H])OC([H])([H])C(N([H])C2C([H])=C([H])C(C([H])([H])[H])=C(C([H])([H])[H])C=2[H])=O)N1C1C([H])=C([H])C(=C([H])C=1[H])OC([H])([H])[H] |
氢键供体数量 | 2 |
---|---|
氢键受体数量 | 6 |
可旋转化学键数量 | 8 |
重原子数量 | 40 |
复杂度 | 848 |
疏水参数计算参考值(XlogP) | 5.9 |
拓扑分子极性表面积 | 89.1 |