HCID22337490

3-Methyl-2-(2-phenyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridine-5-sulfonylmethyl)-butyric Acid

3-methyl-2-[(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)sulfonylmethyl]butanoic acid

C18H22N2O4S2394.5 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)C(CS(=O)(=O)N1CCc2nc(-c3ccccc3)sc2C1)C(=O)O
InChIKey: IOPVEIRYGNXZHY-UHFFFAOYSA-N
分子式: C18H22N2O4S2
平均分子量: 394.5 g/mol
单同位素质量: 394.10209953

COMPUTED

结构计算性质

已同步

XLogP: 2.7
极性表面积: 124 Å²
氢键供体: 1
氢键受体: 7
可旋转键: 6
重原子: 26
形式电荷: 0
复杂度: 599

ALIASES

名称与别名

共 4 条

SCHEMBL6347268IOPVEIRYGNXZHY-UHFFFAOYSA-N3-Methyl-2-(2-phenyl-6,7-dihydro-4 H-thiazolo[5,4-c]pyridine-5-sulfonylmethyl)-butyric acid3-Methyl-2-(2-phenyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridine-5-sulfonylmethyl)-butyric Acid

REACTIONS

参与反应

2 条

uspto-grants-2005_08 · 10.6084/m9.figshare.5104873.v1 · US06933306B2

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uspto-grants-2003_01 · 10.6084/m9.figshare.5104873.v1 · US06506773B2

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