MDL | MFCD30729679 |
---|---|
InChIKey | XYXBVELFAOEJDK-UHFFFAOYSA-N |
Inchi | 1S/C16H28N2O6/c1-15(2,3)11(17-14(23)24-16(4,5)6)12(20)18-8-9(19)7-10(18)13(21)22/h9-11,19H,7-8H2,1-6H3,(H,17,23)(H,21,22) |
SMILES | O([H])C1([H])C([H])([H])N(C(C([H])(C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])N([H])C(=O)OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])=O)C([H])(C(=O)O[H])C1([H])[H] |
PSA | 116.17 |
---|
精确分子量 | 344.19484 |
---|---|
氢键供体数量 | 3 |
氢键受体数量 | 6 |
可旋转化学键数量 | 6 |
重原子数量 | 24 |
复杂度 | 506 |
拓扑分子极性表面积 | 116 |