MDL | MFCD13195436 |
---|---|
InChIKey | LAXHIELHMGBXNQ-UHFFFAOYSA-N |
Inchi | 1S/C19H22N4O5/c1-3-20-15-9-8-14(13-16(15)23(26)27)19(25)22(12-10-18(24)28-4-2)17-7-5-6-11-21-17/h5-9,11,13,20H,3-4,10,12H2,1-2H3 |
SMILES | O=C(C1C([H])=C([H])C(=C(C=1[H])[N+](=O)[O-])N([H])C([H])([H])C([H])([H])[H])N(C1=C([H])C([H])=C([H])C([H])=N1)C([H])([H])C([H])([H])C(=O)OC([H])([H])C([H])([H])[H] |
氢键供体数量 | 1 |
---|---|
氢键受体数量 | 7 |
可旋转化学键数量 | 9 |
重原子数量 | 28 |
复杂度 | 539 |
拓扑分子极性表面积 | 117 |