HCID59636721

1-(5-(2-(4-(2-(Azetidine-1-carbonyl)benzofuran-7-yl)piperazin-1-yl)ethyl)indolin-1-yl)ethanone

1-[5-[2-[4-[2-(azetidine-1-carbonyl)-1-benzofuran-7-yl]piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone

C28H32N4O3472.6 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(=O)N1CCc2cc(CCN3CCN(c4cccc5cc(C(=O)N6CCC6)oc45)CC3)ccc21
InChIKey: JJFIAOXNXKGGSA-UHFFFAOYSA-N
分子式: C28H32N4O3
平均分子量: 472.6 g/mol
单同位素质量: 472.2474409

COMPUTED

结构计算性质

已同步

XLogP: 3.5
极性表面积: 60.2 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 5
重原子: 35
形式电荷: 0
复杂度: 780

ALIASES

名称与别名

共 6 条

SCHEMBL932199CHEMBL3650042JJFIAOXNXKGGSA-UHFFFAOYSA-NBDBM136363US8859534, 491-(5-(2-(4-(2-(Azetidine-1-carbonyl)benzofuran-7-yl)piperazin-1-yl)ethyl)indolin-1-yl)ethanone

REACTIONS

参与反应

3 条

uspto-grants-2013_02 · 10.6084/m9.figshare.5104873.v1 · US08367676B2

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uspto-grants-2014_10 · 10.6084/m9.figshare.5104873.v1 · US08859534B2

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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