HCID136333911

tert-butyl (2S,4R)-2-(6-bromo-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)-4-phenoxypyrrolidine-1-carboxylate

tert-butyl (2S,4R)-2-(6-bromo-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)-4-phenoxypyrrolidine-1-carboxylate

C21H22BrN3O4S492.4 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)OC(=O)N1C[C@H](Oc2ccccc2)C[C@H]1c1nc2cc(Br)sc2c(=O)[nH]1
InChIKey: JAWXECSCUDPLMV-HIFRSBDPSA-N
分子式: C21H22BrN3O4S
平均分子量: 492.4 g/mol
单同位素质量: 491.05144

COMPUTED

结构计算性质

已同步

XLogP: 4.5
极性表面积: 108 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 5
重原子: 30
形式电荷: 0
复杂度: 707

ALIASES

名称与别名

共 4 条

SCHEMBL16766790JAWXECSCUDPLMV-HIFRSBDPSA-Ntert-butyl (2S,4R)-2-(6-bromo-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)-4-phenoxypyrrolidine-1-carboxylatetert-butyl(2S,4R)-2-(6-bromo-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)-4-phenoxypyrrolidine-1-carboxylate

REACTIONS

相关反应

4 条

uspto-grants-2014_05 · 10.6084/m9.figshare.5104873.v1 · US08722660B2

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uspto-grants-2016_07 · 10.6084/m9.figshare.5104873.v1 · US09388195B2

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uspto-grants-2014_12 · 10.6084/m9.figshare.5104873.v1 · US08921354B2

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uspto-grants-2015_01 · 10.6084/m9.figshare.5104873.v1 · US08933069B2

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