Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看![5-[4'-(5-Azidomethyl-2-butyl-4-chloro-imidazol-1-ylmethyl)-biphenyl-2-yl]-1-trityl-1H-tetrazole 分子结构式](/api/mol/86626264/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- CCCCc1nc(Cl)c(CN=[N+]=[N-])n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
- InChIKey
- DMHJPYQUADEYFR-UHFFFAOYSA-N
- 分子式
- C41H36ClN9
- 平均分子量
- 690.2 g/mol
- 单同位素质量
- 689.2782199
COMPUTED
结构计算性质
- XLogP
- 10.9
- 极性表面积
- 75.8 Ų
- 氢键供体
- 0
- 氢键受体
- 6
- 可旋转键
- 13
- 重原子
- 51
- 形式电荷
- 0
- 复杂度
- 1,050
ALIASES
名称与别名
DMHJPYQUADEYFR-UHFFFAOYSA-N5-[4'-(5-Azidomethyl-2-butyl-4-chloro-imidazol-1-ylmethyl)-biphenyl-2-yl]-1-trityl-1H-tetrazole
REACTIONS
参与反应
uspto-grants-2014_11 · 10.6084/m9.figshare.5104873.v1 · US08895755B2
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uspto-grants-2012_08 · 10.6084/m9.figshare.5104873.v1 · US08236846B2
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uspto-grants-2011_09 · 10.6084/m9.figshare.5104873.v1 · US08013005B2
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uspto-grants-2016_03 · 10.6084/m9.figshare.5104873.v1 · US09273008B2
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uspto-grants-2013_10 · 10.6084/m9.figshare.5104873.v1 · US08569351B2
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uspto-grants-2014_03 · 10.6084/m9.figshare.5104873.v1 · US08664254B2
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uspto-grants-2011_02 · 10.6084/m9.figshare.5104873.v1 · US07879896B2
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