MDL | MFCD09751152 |
---|---|
InChIKey | OYNOCRWQLLIRON-UHFFFAOYSA-N |
Inchi | 1S/C26H42N4O2/c1-23(2)13-19(14-24(3,4)29-23)27-21(31)17-10-9-11-18(12-17)22(32)28-20-15-25(5,6)30-26(7,8)16-20/h9-12,19-20,29-30H,13-16H2,1-8H3,(H,27,31)(H,28,32) |
SMILES | O=C(C1C([H])=C([H])C([H])=C(C=1[H])C(N([H])C1([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])N([H])C(C([H])([H])[H])(C([H])([H])[H])C1([H])[H])=O)N([H])C1([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])N([H])C(C([H])([H])[H])(C([H])([H])[H])C1([H])[H] |
LogP | 5.20400 |
---|---|
PSA | 82.26000 |
精确分子量 | 442.33100 |
---|---|
氢键供体数量 | 4 |
氢键受体数量 | 4 |
可旋转化学键数量 | 4 |
重原子数量 | 32 |
复杂度 | 623 |
拓扑分子极性表面积 | 82.3 |
SMILES
O=C(NC1CC(C)(C)NC(C)(C)C1)C2C=C(C=CC=2)C(=O)NC3CC(C)(C)NC(C)(C)C3