HCID86607463

1-(6-chloro-5-fluoropyrimidin-4-yl)-cis-2,6-dimethylhexahydro-1H-azepine

(2S,6R)-1-(6-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylazepane

C12H17ClFN3257.73 g/mol

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IDENTITY

结构与身份

标准SMILES: C[C@@H]1CCC[C@H](C)N(c2ncnc(Cl)c2F)C1
InChIKey: KXZJPIBZURSBLW-BDAKNGLRSA-N
分子式: C12H17ClFN3
平均分子量: 257.73 g/mol
单同位素质量: 257.1095034

COMPUTED

结构计算性质

已同步

XLogP: 3.8
极性表面积: 29 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 1
重原子: 17
形式电荷: 0
复杂度: 254

ALIASES

名称与别名

共 4 条

SCHEMBL82910KXZJPIBZURSBLW-BDAKNGLRSA-N1-(6-chloro-5-fluoropyrimidin-4-yl)-cis-2,6-dimethyl-hexahydro-1H-azepine1-(6-chloro-5-fluoropyrimidin-4-yl)-cis-2,6-dimethylhexahydro-1H-azepine

REACTIONS

参与反应

10 条

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07732448B2

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uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07732448B2

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uspto-grants-2011_07 · 10.6084/m9.figshare.5104873.v1 · US07973028B2

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uspto-grants-2011_07 · 10.6084/m9.figshare.5104873.v1 · US07973028B2

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uspto-grants-2012_03 · 10.6084/m9.figshare.5104873.v1 · US08129526B2

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uspto-grants-2012_03 · 10.6084/m9.figshare.5104873.v1 · US08129526B2

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uspto-grants-2011_04 · 10.6084/m9.figshare.5104873.v1 · US07928110B2

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uspto-grants-2011_04 · 10.6084/m9.figshare.5104873.v1 · US07928110B2

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