HCID135604968

2-[5-(2-Bromoacetyl)-2-ethoxyphenyl]-5-methyl-7-cycloheptyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one

2-[5-(2-bromoacetyl)-2-ethoxyphenyl]-7-cycloheptyl-5-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one

C23H27BrN4O3487.4 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOc1ccc(C(=O)CBr)cc1-c1nn2c(C3CCCCCC3)nc(C)c2c(=O)[nH]1
InChIKey: YSFOUCSXBFLMCA-UHFFFAOYSA-N
分子式: C23H27BrN4O3
平均分子量: 487.4 g/mol
单同位素质量: 486.12665

COMPUTED

结构计算性质

已同步

XLogP: 5.2
极性表面积: 85.6 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 6
重原子: 31
形式电荷: 0
复杂度: 694

ALIASES

名称与别名

共 4 条

SCHEMBL5901738YSFOUCSXBFLMCA-UHFFFAOYSA-N2-[5-(2-Bromoacetyl)-2-ethoxyphenyl]-5-methyl-7-cycloheptyl-3H-imidazo[5,1-f][1,2,4]-triazin-4-one2-[5-(2-Bromoacetyl)-2-ethoxyphenyl]-5-methyl-7-cycloheptyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one

REACTIONS

参与反应

3 条

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07098207B2

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-2005_04 · 10.6084/m9.figshare.5104873.v1 · US06878708B2

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