MDL | MFCD28899992 |
---|---|
InChIKey | IQNVEOMHJHBNHC-UHFFFAOYSA-N |
Inchi | 1S/C27H31N7O2/c1-6-26(35)30-22-15-23(25(36-5)16-24(22)34(4)14-13-33(2)3)32-27-28-12-11-21(31-27)19-17-29-20-10-8-7-9-18(19)20/h6-12,15-17,29H,1,13-14H2,2-5H3,(H,30,35)(H,28,31,32) |
SMILES | O(C([H])([H])[H])C1=C(C([H])=C(C(=C1[H])N(C([H])([H])[H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])N([H])C(C([H])=C([H])[H])=O)N([H])C1=NC([H])=C([H])C(C2=C([H])N([H])C3=C([H])C([H])=C([H])C([H])=C23)=N1 |
氢键供体数量 | 3 |
---|---|
氢键受体数量 | 7 |
可旋转化学键数量 | 10 |
重原子数量 | 36 |
复杂度 | 722 |
拓扑分子极性表面积 | 98.4 |