Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看HCID57815262
tert-butyl (2,3-dihydro(1,4)dioxino(2,3-c)pyridin-7-ylmethyl)(1-(2-(7-fluoro-2-oxo-1,5-naphthyridin-1(2H)-yl)ethyl)piperidin-4-yl)carbamate
tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]carbamate
C28H34FN5O5539.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CC(C)(C)OC(=O)N(Cc1cc2c(cn1)OCCO2)C1CCN(CCn2c(=O)ccc3ncc(F)cc32)CC1
- InChIKey
- KPIPOLIPAACYAE-UHFFFAOYSA-N
- 分子式
- C28H34FN5O5
- 平均分子量
- 539.6 g/mol
- 单同位素质量
- 539.25439736
COMPUTED
结构计算性质
- XLogP
- 2.2
- 极性表面积
- 97.3 Ų
- 氢键供体
- 0
- 氢键受体
- 9
- 可旋转键
- 8
- 重原子
- 39
- 形式电荷
- 0
- 复杂度
- 892
ALIASES
名称与别名
SCHEMBL10313895KPIPOLIPAACYAE-UHFFFAOYSA-Ntert-butyl (2,3-dihydro(1,4)dioxino(2,3-c)pyridin-7-ylmethyl)(1-(2-(7-fluoro-2-oxo-1,5-naphthyridin-1(2H)-yl)ethyl)piperidin-4-yl)carbamate
REACTIONS
参与反应
uspto-grants-2013_02 · 10.6084/m9.figshare.5104873.v1 · US08367831B2
查看uspto-grants-2013_02 · 10.6084/m9.figshare.5104873.v1 · US08367831B2
查看Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
查看Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D
查看uspto-grants-2012_07 · 10.6084/m9.figshare.5104873.v1 · US08211908B2
查看uspto-grants-2012_07 · 10.6084/m9.figshare.5104873.v1 · US08211908B2
查看uspto-grants-2013_01 · 10.6084/m9.figshare.5104873.v1 · US08354426B2
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