HCID118314207

Ethyl (S)-2-(5-bromo-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethylpyridin-3-yl)-2-hydroxyacetate

ethyl (2S)-2-[5-bromo-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]-2-hydroxyacetate

C18H27BrN2O3399.3 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)[C@@H](O)c1c(C)nc(C)c(Br)c1N1CCC(C)(C)CC1
InChIKey: HDYIRTRWQGSZRC-INIZCTEOSA-N
分子式: C18H27BrN2O3
平均分子量: 399.3 g/mol
单同位素质量: 398.12051

COMPUTED

结构计算性质

已同步

XLogP: 3.7
极性表面积: 62.7 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 5
重原子: 24
形式电荷: 0
复杂度: 436

ALIASES

名称与别名

共 5 条

Ethyl (S)-2-(5-bromo-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethylpyridin-3-yl)-2-hydroxyacetate1803444-98-5SCHEMBL17014145HDYIRTRWQGSZRC-INIZCTEOSA-N(S)-ethyl 2-(5-bromo-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethylpyridin-3-yl)-2-hydroxyacetate

REACTIONS

参与反应

2 条

uspto-grants-2015_11 · 10.6084/m9.figshare.5104873.v1 · US09193720B2

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uspto-grants-2015_11 · 10.6084/m9.figshare.5104873.v1 · US09193720B2

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