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 分子结构式
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

已同步
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

共 3 条
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

11
HRID 133918 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID 385618 反应方程式

uspto-grants-2013_02 · 10.6084/m9.figshare.5104873.v1 · US08367831B2

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HRID 385619 反应方程式

uspto-grants-2013_02 · 10.6084/m9.figshare.5104873.v1 · US08367831B2

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HRID 958659 反应方程式

Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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HRID 1125585 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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HRID 1510739 反应方程式

uspto-grants-2012_07 · 10.6084/m9.figshare.5104873.v1 · US08211908B2

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HRID 1510740 反应方程式

uspto-grants-2012_07 · 10.6084/m9.figshare.5104873.v1 · US08211908B2

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HRID 1804729 反应方程式

uspto-grants-2013_01 · 10.6084/m9.figshare.5104873.v1 · US08354426B2

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