MDL | MFCD11840420 |
---|---|
InChIKey | SCVHJVCATBPIHN-SJCJKPOMSA-N |
Inchi | 1S/C26H27F4N3O7/c1-12(31-24(38)25(39)32-16-8-6-5-7-13(16)26(2,3)4)23(37)33-17(10-19(35)36)18(34)11-40-22-20(29)14(27)9-15(28)21(22)30/h5-9,12,17H,10-11H2,1-4H3,(H,31,38)(H,32,39)(H,33,37)(H,35,36)/t12-,17-/m0/s1 |
SMILES | FC1C(=C([H])C(=C(C=1OC([H])([H])C([C@]([H])(C([H])([H])C(=O)O[H])N([H])C([C@]([H])(C([H])([H])[H])N([H])C(C(N([H])C1=C([H])C([H])=C([H])C([H])=C1C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])=O)=O)=O)=O)F)F)F |
PSA | 150.9 |
---|---|
密度 | 1.386 |
精确分子量 | 569.17861 |
---|---|
氢键供体数量 | 4 |
氢键受体数量 | 11 |
可旋转化学键数量 | 11 |
重原子数量 | 40 |
复杂度 | 934 |
拓扑分子极性表面积 | 151 |