MDL | MFCD32702042 |
---|---|
InChIKey | PJXBLWLWNWGFJO-TXLSGFARSA-N |
Inchi | 1S/C33H31N5O4/c34-22-33(29-17-16-27-32(35)36-23-37-38(27)29)31(41-20-26-14-8-3-9-15-26)30(40-19-25-12-6-2-7-13-25)28(42-33)21-39-18-24-10-4-1-5-11-24/h1-17,23,28,30-31H,18-21H2,(H2,35,36,37)/t28-,30-,31-,33+/m1/s1 |
SMILES | O1[C@]([H])(C([H])([H])OC([H])([H])C2C([H])=C([H])C([H])=C([H])C=2[H])[C@]([H])([C@]([H])([C@]1(C#N)C1=C([H])C([H])=C2C(N([H])[H])=NC([H])=NN12)OC([H])([H])C1C([H])=C([H])C([H])=C([H])C=1[H])OC([H])([H])C1C([H])=C([H])C([H])=C([H])C=1[H] |
氢键供体数量 | 1 |
---|---|
氢键受体数量 | 8 |
可旋转化学键数量 | 11 |
重原子数量 | 42 |
复杂度 | 883 |
拓扑分子极性表面积 | 117 |