InChIKey | SINOYLIIFJJPCM-IZZNHLLZSA-N |
---|---|
Inchi | 1S/C29H29N3O4/c1-21-17-32(28(35)30-27(21)34)26-19-31(18-25(20-33)36-26)29(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-17,25-26,33H,18-20H2,1H3,(H,30,34,35)/t25-,26+/m0/s1 |
SMILES | O1[C@]([H])(C([H])([H])O[H])C([H])([H])N(C([H])([H])[C@]1([H])N1C(N([H])C(C(C([H])([H])[H])=C1[H])=O)=O)C(C1C([H])=C([H])C([H])=C([H])C=1[H])(C1C([H])=C([H])C([H])=C([H])C=1[H])C1C([H])=C([H])C([H])=C([H])C=1[H] |
氢键供体数量 | 2 |
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氢键受体数量 | 5 |
可旋转化学键数量 | 6 |
重原子数量 | 36 |
复杂度 | 766 |
疏水参数计算参考值(XlogP) | 3.5 |
拓扑分子极性表面积 | 82.1 |