MDL | MFCD13183777 |
---|---|
InChIKey | SQSDKFVTNMLFGV-YNXGUESPSA-N |
Inchi | 1S/C20H18F7NO2.C7H8O3S/c1-11(13-8-14(19(22,23)24)10-15(9-13)20(25,26)27)30-18-17(28-6-7-29-18)12-2-4-16(21)5-3-12;1-6-2-4-7(5-3-6)11(8,9)10/h2-5,8-11,17-18,28H,6-7H2,1H3;2-5H,1H3,(H,8,9,10)/t11-,17+,18-;/m1./s1 |
SMILES | S(C1C([H])=C([H])C(C([H])([H])[H])=C([H])C=1[H])(=O)(=O)O[H].FC1C([H])=C([H])C(=C([H])C=1[H])[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])[H])C2C([H])=C(C(F)(F)F)C([H])=C(C(F)(F)F)C=2[H])OC([H])([H])C([H])([H])N1[H] |
LogP | 8.27940 |
---|---|
PSA | 93.24000 |
精确分子量 | 609.14200 |
---|---|
氢键供体数量 | 2 |
氢键受体数量 | 13 |
可旋转化学键数量 | 5 |
重原子数量 | 41 |
复杂度 | 733 |
拓扑分子极性表面积 | 93.2 |
SMILES
CC1=CC=C(C=C1)S(=O)(O)=O.FC1=CC=C(C=C1)[C@H]2[C@H](OCCN2)O[C@H](C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
物理化学性质
产品用途
化学品安全说明书(MSDS)
储运特性