MDL | MFCD22124524 |
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InChIKey | DKNUPRMJNUQNHR-UHFFFAOYSA-N |
Inchi | 1S/C24H22F3N5O5/c1-23(2,24(25,26)27)19-11-20(32-37-19)31-22(33)30-13-6-5-7-14(8-13)36-21-15-9-17(34-3)18(35-4)10-16(15)28-12-29-21/h5-12H,1-4H3,(H2,30,31,32,33) |
SMILES | FC(C(C([H])([H])[H])(C([H])([H])[H])C1=C([H])C(N([H])C(N([H])C2C([H])=C([H])C([H])=C(C=2[H])OC2C3=C([H])C(=C(C([H])=C3N=C([H])N=2)OC([H])([H])[H])OC([H])([H])[H])=O)=NO1)(F)F |
LogP | 5.34670 |
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PSA | 127.35000 |
溶解度 | Insuluble (3.1E-5 g/L) (25 ºC), |
密度 | 1.405±0.06 g/cm3 (20 ºC 760 Torr), |
精确分子量 | 517.15700 |
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氢键供体数量 | 2 |
氢键受体数量 | 11 |
可旋转化学键数量 | 7 |
重原子数量 | 37 |
复杂度 | 776 |
拓扑分子极性表面积 | 121 |
SMILES:COC1=C(OC)C=C2C(N=CN=C2OC3C=C(C=CC=3)NC(=O)NC4C=C(ON=4)C(C)(C)C(F)(F)F)=C1
ExSMILES:517.15746
InChI:
InChIKey:
IUPACName:
分子式:FormulaHtmlC24H22N5O5F3