Inchi | 1S/C23H29N7O3.ClH/c1-15-12-25-19-18(15)20(27-14-26-19)30-9-7-23(13-24,8-10-30)21(31)28-16-5-4-6-17(11-16)33-22(32)29(2)3;/h4-6,11-12,14H,7-10,13,24H2,1-3H3,(H,28,31)(H,25,26,27);1H |
InChIKey | ZQRGQMCNRINKRN-UHFFFAOYSA-N |
SMILES | Cl[H].O=C(C1(C([H])([H])N([H])[H])C([H])([H])C([H])([H])N(C2C3C(C([H])([H])[H])=C([H])N([H])C=3N=C([H])N=2)C([H])([H])C1([H])[H])N([H])C1C([H])=C([H])C([H])=C(C=1[H])OC(N(C([H])([H])[H])C([H])([H])[H])=O |
氢键供体数量 | 4 |
氢键受体数量 | 7 |
重原子数量 | 34 |
可旋转化学键数量 | 6 |
复杂度 | 698 |
拓扑分子极性表面积 | 130 |