HCID86645999

N-[5-({2-[(chloroacetyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)-2-methylphenyl]-3-(1-cyanocyclopropyl)benzamide

N-[5-[[2-[(2-chloroacetyl)amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]-2-methylphenyl]-3-(1-cyanocyclopropyl)benzamide

C26H20ClN5O3S518 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1ccc(Oc2ccc3nc(NC(=O)CCl)sc3n2)cc1NC(=O)c1cccc(C2(C#N)CC2)c1
InChIKey: VKERNWZTMLTWEV-UHFFFAOYSA-N
分子式: C26H20ClN5O3S
平均分子量: 518 g/mol
单同位素质量: 517.0975384

COMPUTED

结构计算性质

已同步

XLogP: 4.8
极性表面积: 145 Å²
氢键供体: 2
氢键受体: 7
可旋转键: 7
重原子: 36
形式电荷: 0
复杂度: 879

ALIASES

名称与别名

共 3 条

SCHEMBL2851666VKERNWZTMLTWEV-UHFFFAOYSA-NN-[5-({2-[(chloroacetyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)-2-methylphenyl]-3-(1-cyanocyclopropyl)benzamide

REACTIONS

参与反应

2 条

Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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uspto-grants-2013_01 · 10.6084/m9.figshare.5104873.v1 · US08344135B2

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