MDL | MFCD32632486 |
---|---|
InChIKey | JAVVVDPMHHHPQO-KWMCUTETSA-N |
Inchi | 1S/C22H34N2O3S/c1-20(2,3)27-19(25)24-13-11-22(12-14-24)15-16-9-7-8-10-17(16)18(22)23-28(26)21(4,5)6/h7-10,18,23H,11-15H2,1-6H3/t18-,28-/m1/s1 |
SMILES | [S@@](C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])(N([H])[C@]1([H])C2=C([H])C([H])=C([H])C([H])=C2C([H])([H])C21C([H])([H])C([H])([H])N(C(=O)OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C2([H])[H])=O |
氢键供体数量 | 1 |
---|---|
氢键受体数量 | 5 |
可旋转化学键数量 | 5 |
重原子数量 | 28 |
复杂度 | 600 |
拓扑分子极性表面积 | 77.8 |