HCID9956718

2-(4-dimethylamino-4-phenylcyclohexylidene)-1-[3-(1H-indol-3-yl)piperidine-1-yl]-ethanone

2-[4-(dimethylamino)-4-phenylcyclohexylidene]-1-[3-(1H-indol-3-yl)piperidin-1-yl]ethanone

C29H35N3O441.6 g/mol

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IDENTITY

结构与身份

标准SMILES: CN(C)C1(c2ccccc2)CCC(=CC(=O)N2CCCC(c3c[nH]c4ccccc34)C2)CC1
InChIKey: HUEGUJOACCLJOY-UHFFFAOYSA-N
分子式: C29H35N3O
平均分子量: 441.6 g/mol
单同位素质量: 441.27801275

COMPUTED

结构计算性质

已同步

XLogP: 4.6
极性表面积: 39.3 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 4
重原子: 33
形式电荷: 0
复杂度: 700

ALIASES

名称与别名

共 4 条

SCHEMBL2784514HUEGUJOACCLJOY-UHFFFAOYSA-N2-(4-dimethylamino-4-phenylcyclohexylidene)-1-[3-(1H-indol-3-yl)piperidine-1-yl]-ethanone2-(4-dimethylamino-4-phenylcyclohexylidene)-1-[3-(1H-indol-3-yl)-piperidine-1-yl]-ethanone

REACTIONS

参与反应

6 条

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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uspto-grants-2010_07 · 10.6084/m9.figshare.5104873.v1 · US07759385B2

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uspto-grants-2010_07 · 10.6084/m9.figshare.5104873.v1 · US07759385B2

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uspto-grants-2010_07 · 10.6084/m9.figshare.5104873.v1 · US07759385B2

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