HCID86681912

(Z)-2-[(1H-indol-3-yl)methylene]-5-chloro-6-hydroxy-7-(piperazin-1-ylmethyl)benzofuran-3(2H)-one dihydrochloride

(2Z)-5-chloro-6-hydroxy-2-(1H-indol-3-ylmethylidene)-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one;dihydrochloride

C22H22Cl3N3O3482.8 g/mol

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IDENTITY

结构与身份

标准SMILES: Cl.Cl.O=C1/C(=C/c2c[nH]c3ccccc23)Oc2c1cc(Cl)c(O)c2CN1CCNCC1
InChIKey: AYUSOCPNAKWUAX-XNUYWWHZSA-N
分子式: C22H22Cl3N3O3
平均分子量: 482.8 g/mol
单同位素质量: 481.072675

COMPUTED

结构计算性质

已同步

极性表面积: 77.6 Å²
氢键供体: 5
氢键受体: 5
可旋转键: 3
重原子: 31
形式电荷: 0
复杂度: 653

ALIASES

名称与别名

共 3 条

SCHEMBL14735140AYUSOCPNAKWUAX-XNUYWWHZSA-N(Z)-2-[(1H-indol-3-yl)methylene]-5-chloro-6-hydroxy-7-(piperazin-1-ylmethyl)benzofuran-3(2H)-one dihydrochloride

REACTIONS

参与反应

1 条

uspto-grants-2015_10 · 10.6084/m9.figshare.5104873.v1 · US09156827B2

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