HCID59535989

2-(5-Bromobenzo[d]oxazole-2-carboxamido)-4-(4-chlorophenyl)thiophene-3-carboxylic acid

2-[(5-bromo-1,3-benzoxazole-2-carbonyl)amino]-4-(4-chlorophenyl)thiophene-3-carboxylic acid

C19H10BrClN2O4S477.7 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1nc2cc(Br)ccc2o1
InChIKey: PTLDSZQIBVWSFG-UHFFFAOYSA-N
分子式: C19H10BrClN2O4S
平均分子量: 477.7 g/mol
单同位素质量: 475.92332

COMPUTED

结构计算性质

已同步

XLogP: 6
极性表面积: 121 Å²
氢键供体: 2
氢键受体: 6
可旋转键: 4
重原子: 28
形式电荷: 0
复杂度: 606

ALIASES

名称与别名

共 4 条

SCHEMBL1907351PTLDSZQIBVWSFG-UHFFFAOYSA-N2-(5-bromobenzo[d]oxazole-2-carboxamido)-4-(4-chlorophenyl) thiophene-3-carboxylic acid2-(5-bromobenzo[d]oxazole-2-carboxamido)-4-(4-chlorophenyl)thiophene-3-carboxylic acid

REACTIONS

参与反应

7 条

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

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uspto-grants-2013_02 · 10.6084/m9.figshare.5104873.v1 · US08383670B2

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uspto-grants-2013_02 · 10.6084/m9.figshare.5104873.v1 · US08383670B2

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uspto-grants-2011_03 · 10.6084/m9.figshare.5104873.v1 · US07906553B2

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uspto-grants-2011_03 · 10.6084/m9.figshare.5104873.v1 · US07906553B2

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uspto-grants-2013_03 · 10.6084/m9.figshare.5104873.v1 · US08394848B2

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uspto-grants-2013_03 · 10.6084/m9.figshare.5104873.v1 · US08394848B2

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