HCID67147701

benzyl[2-(5,6-dimethoxy-1-methyl-1H-indol-3-yl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyrid-4-ylmethyl]amine

N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]methyl]-1-phenylmethanamine

C33H32N4O4S580.7 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1cc2c(-c3cc4c(CNCc5ccccc5)ccnc4n3S(=O)(=O)c3ccc(C)cc3)cn(C)c2cc1OC
InChIKey: PXDWEJULNWWRQP-UHFFFAOYSA-N
分子式: C33H32N4O4S
平均分子量: 580.7 g/mol
单同位素质量: 580.21442669

COMPUTED

结构计算性质

等待补全

XLogP: 5.4
极性表面积: 95.8 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 9
重原子: 42
形式电荷: 0
复杂度: 979

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 4 条

SCHEMBL1749211PXDWEJULNWWRQP-UHFFFAOYSA-Nbenzyl [2-(5,6-dimethoxy-1-methyl-1H-indol-3-yl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyrid-4-ylmethyl]aminebenzyl[2-(5,6-dimethoxy-1-methyl-1H-indol-3-yl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyrid-4-ylmethyl]amine

REACTIONS

参与反应

4 条

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

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uspto-grants-2009_05 · 10.6084/m9.figshare.5104873.v1 · US07528147B2

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

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uspto-grants-2011_06 · 10.6084/m9.figshare.5104873.v1 · US07968566B2

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