MDL | MFCD10567093 |
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InChIKey | QXWZQTURMXZVHJ-UHFFFAOYSA-N |
Inchi | 1S/C26H32N4O4S/c1-20(2)30(16-10-11-17-34-19-24(31)29-35(3,32)33)23-18-27-25(21-12-6-4-7-13-21)26(28-23)22-14-8-5-9-15-22/h4-9,12-15,18,20H,10-11,16-17,19H2,1-3H3,(H,29,31) |
SMILES | S(C([H])([H])[H])(N([H])C(C([H])([H])OC([H])([H])C([H])([H])C([H])([H])C([H])([H])N(C1=C([H])N=C(C2C([H])=C([H])C([H])=C([H])C=2[H])C(C2C([H])=C([H])C([H])=C([H])C=2[H])=N1)C([H])(C([H])([H])[H])C([H])([H])[H])=O)(=O)=O |
LogP | 5.36970 |
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PSA | 109.87000 |
溶解度 | Insuluble (1.4E-3 g/L) (25 ºC), |
密度 | 1.210±0.06 g/cm3 (20 ºC 760 Torr), |
精确分子量 | 496.21400 |
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氢键供体数量 | 1 |
氢键受体数量 | 7 |
可旋转化学键数量 | 12 |
重原子数量 | 35 |
复杂度 | 730 |
拓扑分子极性表面积 | 110 |
SMILES:O=C(COCCCCN(C(C)C)C1N=C(C2=CC=CC=C2)C(=NC=1)C3=CC=CC=C3)NS(=O)(C)=O
ExSMILES:496.21466
InChI:
InChIKey:
IUPACName:
分子式:FormulaHtmlC26H32N4O4S