HCID58779587

5-formyl-2-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-3-carboxylic acid ethyl ester

ethyl 5-formyl-2-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-3-carboxylate

C17H27N3O3321.4 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)c1c(C)[nH]c(C=O)c1CCCN1CCN(C)CC1
InChIKey: XWTXOZAMDCGFQZ-UHFFFAOYSA-N
分子式: C17H27N3O3
平均分子量: 321.4 g/mol
单同位素质量: 321.20524173

COMPUTED

结构计算性质

等待补全

XLogP: 1.6
极性表面积: 65.6 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 8
重原子: 23
形式电荷: 0
复杂度: 397

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 7 条

SCHEMBL5401547XWTXOZAMDCGFQZ-UHFFFAOYSA-N5-formyl-2-methyl-4-[3-(4-methyl-piperazin-1-yl)-propyl]-1 H-pyrrole-3-carboxylic acid ethyl ester5-formyl-2-methyl-4-[3-(4-methyl-piperazin-1-yl)-propyl]-1H-pyrrole-3-carboxylic acid ethyl ester5-formyl-2-methyl-4-[3-(4-methyl-piperazin-1-yl)propyl]-1H-pyrrole-3-carboxylic acid ethyl ester5-formyl-2-methyl-4-[3-(4-methylpiperazin-1-yl)-propyl]-1H-pyrrole-3-carboxylic acid ethyl ester5-formyl-2-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-3-carboxylic acid ethyl ester

REACTIONS

参与反应

24 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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uspto-grants-2005_03 · 10.6084/m9.figshare.5104873.v1 · US06861418B2

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