HCID22019378

3-(1'-Diethoxymethyl-1',2'-dihydro-2'-oxospiro[cyclohexane-1,3'-[3H]indol]-5'-yl)-5-fluorobenzonitrile

3-[1'-(diethoxymethyl)-2'-oxospiro[cyclohexane-1,3'-indole]-5'-yl]-5-fluorobenzonitrile

C25H27FN2O3422.5 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOC(OCC)N1C(=O)C2(CCCCC2)c2cc(-c3cc(F)cc(C#N)c3)ccc21
InChIKey: KZGQGVZROVKHSE-UHFFFAOYSA-N
分子式: C25H27FN2O3
平均分子量: 422.5 g/mol
单同位素质量: 422.20057089

COMPUTED

结构计算性质

已同步

XLogP: 5.1
极性表面积: 62.6 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 6
重原子: 31
形式电荷: 0
复杂度: 679

ALIASES

名称与别名

共 4 条

SCHEMBL5225099KZGQGVZROVKHSE-UHFFFAOYSA-N3-(1'-Diethoxymethyl-1', 2'-dihydro-2'-oxospiro[cyclohexane-1,3'-[3H]indol]-5'-yl)-5-fluorobenzonitrile3-(1'-Diethoxymethyl-1',2'-dihydro-2'-oxospiro[cyclohexane-1,3'-[3H]indol]-5'-yl)-5-fluorobenzonitrile

REACTIONS

参与反应

7 条

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07084168B2

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uspto-grants-2003_08 · 10.6084/m9.figshare.5104873.v1 · US06608068B2

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uspto-grants-2007_08 · 10.6084/m9.figshare.5104873.v1 · US07253203B2

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

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uspto-grants-2002_10 · 10.6084/m9.figshare.5104873.v1 · US06462032B1

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uspto-grants-2003_04 · 10.6084/m9.figshare.5104873.v1 · US06544970B2

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uspto-grants-2010_01 · 10.6084/m9.figshare.5104873.v1 · US07645761B2

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