Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- CC(C)(C)OC(=O)N1CCC(ON2C(=O)c3ccccc3C2=O)CC1
- InChIKey
- GPMANOUMBKYOHS-UHFFFAOYSA-N
- 分子式
- C18H22N2O5
- 平均分子量
- 346.4 g/mol
- 单同位素质量
- 346.15287181
COMPUTED
结构计算性质
- XLogP
- 2.4
- 极性表面积
- 76.2 Ų
- 氢键供体
- 0
- 氢键受体
- 5
- 可旋转键
- 4
- 重原子
- 25
- 形式电荷
- 0
- 复杂度
- 524
ALIASES
名称与别名
SCHEMBL1677006GPMANOUMBKYOHS-UHFFFAOYSA-Ntert-butyl 4-(1,3-dioxo-1,3-dihydroisoindol-2-yloxy)piperidine-1-carboxylate143539-99-5DB-335671t-Butyl 4-(1,3-dioxoisoindolin-2-yloxy)piperidine-1-carboxylatetert-butyl 4-(1,3-dioxoisoindolin-2-yloxy)piperidine-1-carboxylate4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yloxy)-piperidine-1-carboxylic acid tert-butyl estertert-butyl 4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)oxy]piperidine-1-carboxylate
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
查看Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
查看Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
查看uspto-grants-2013_10 · 10.6084/m9.figshare.5104873.v1 · US08563732B2
查看uspto-grants-2013_10 · 10.6084/m9.figshare.5104873.v1 · US08563732B2
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