MDL | MFCD11044408 |
---|---|
InChIKey | FSKBHXVAXWHEQT-LOYHVIPDSA-N |
Inchi | 1S/C34H34N2O4/c37-33(31(25-15-5-1-6-16-25)26-17-7-2-8-18-26)35(39)29-23-13-14-24-30(29)36(40)34(38)32(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22,29-32,39-40H,13-14,23-24H2/t29-,30-/m1/s1 |
SMILES | O([H])N(C(C([H])(C1C([H])=C([H])C([H])=C([H])C=1[H])C1C([H])=C([H])C([H])=C([H])C=1[H])=O)[C@]1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])N(C(C([H])(C1C([H])=C([H])C([H])=C([H])C=1[H])C1C([H])=C([H])C([H])=C([H])C=1[H])=O)O[H] |
LogP | 6.39740 |
---|---|
PSA | 81.08000 |
折射率 | 90 ° (C=1, CHCl3) |
沸点 | 727.6°C at 760 mmHg |
熔点 | 200-205 °C |
闪点 | 393.8°C |
密度 | 1.28 |
精确分子量 | 534.25200 |
---|---|
氢键供体数量 | 2 |
氢键受体数量 | 4 |
可旋转化学键数量 | 8 |
重原子数量 | 40 |
复杂度 | 694 |
拓扑分子极性表面积 | 81.1 |
PubChemId | 87560516 |
---|
Reaxys RN | 10394332 |
---|
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)N(O)[C@H]3[C@@H](CCCC3)N(O)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5