HCID11675590

5-[2-[4-(1H-indol-3-yl)-1,2,3,6-tetrahydropyridin-1-yl]ethyl]-2-methylthio-3,6-dimethyl-3H-pyrimidin-4-one

5-[2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,6-dimethyl-2-methylsulfanylpyrimidin-4-one

C22H26N4OS394.5 g/mol

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IDENTITY

结构与身份

标准SMILES: CSc1nc(C)c(CCN2CC=C(c3c[nH]c4ccccc34)CC2)c(=O)n1C
InChIKey: NVAZJNLZKCAIFX-UHFFFAOYSA-N
分子式: C22H26N4OS
平均分子量: 394.5 g/mol
单同位素质量: 394.18273264

COMPUTED

结构计算性质

等待补全

XLogP: 3.1
极性表面积: 77 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 5
重原子: 28
形式电荷: 0
复杂度: 713

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 4 条

SCHEMBL5101993NVAZJNLZKCAIFX-UHFFFAOYSA-N5-[2-[4-(1H-indol-3-yl)-1,2,3,6-tetrahydropyridin-1-yl]ethyl]-2-methylthio-3,6-dimethyl-3H-pyrimidin-4-one5-[2-[4-(1H-indol-3-yl)-1,2,3,6-tetrahydropyridin-1-yl]ethyl]-2-methylthio-3,6-dimethyl-3H-pyrimidin-4one

REACTIONS

参与反应

2 条

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

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uspto-grants-2008_05 · 10.6084/m9.figshare.5104873.v1 · US07371769B2

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