Inchi | 1S/C26H22N2O5S/c29-24(30)13-28-22-11-5-6-12-23(22)34-15-21(25(28)31)27-26(32)33-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-12,20-21H,13-15H2,(H,27,32)(H,29,30)/t21-/m0/s1 |
InChIKey | CZPKFSSJWQVUQI-NRFANRHFSA-N |
SMILES | S1C2=C([H])C([H])=C([H])C([H])=C2N(C([H])([H])C(=O)O[H])C([C@]([H])(C1([H])[H])N([H])C(=O)OC([H])([H])C1([H])C2=C([H])C([H])=C([H])C([H])=C2C2=C([H])C([H])=C([H])C([H])=C12)=O |
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 | 6 |
复杂度 | 756 |
疏水参数计算参考值(XlogP) | 4.1 |
拓扑分子极性表面积 | 121 |