HCID22742099

N-(4-chloro-3-methylisothiazol-5-yl)-2-(3-amino-4-hydroxyphenyl)propionamide

2-(3-amino-4-hydroxyphenyl)-N-(4-chloro-3-methyl-1,2-thiazol-5-yl)propanamide

C13H14ClN3O2S311.79 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1nsc(NC(=O)C(C)c2ccc(O)c(N)c2)c1Cl
InChIKey: FGRHHCAOFZFYJW-UHFFFAOYSA-N
分子式: C13H14ClN3O2S
平均分子量: 311.79 g/mol
单同位素质量: 311.0495256

COMPUTED

结构计算性质

已同步

XLogP: 2.7
极性表面积: 116 Å²
氢键供体: 3
氢键受体: 5
可旋转键: 3
重原子: 20
形式电荷: 0
复杂度: 361

ALIASES

名称与别名

共 4 条

SCHEMBL3042064FGRHHCAOFZFYJW-UHFFFAOYSA-NN-(4-chloro-3-methylisothiazol-5-yl)-2-(3-amino-4-hydroxyphenyl)-propionamideN-(4-chloro-3-methylisothiazol-5-yl)-2-(3-amino-4-hydroxyphenyl)propionamide

REACTIONS

相关反应

4 条

uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06703347B2

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uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06703347B2

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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 (1/10) · 10.1039/C8SC04228D

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