HCID86664537

tert-Butyl {1-[2-(6-cyano-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl}carbamate

tert-butyl N-[1-[2-(6-cyano-3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]carbamate

C21H28N4O4400.5 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)OC(=O)NC1CCN(CCN2C(=O)COc3ccc(C#N)cc32)CC1
InChIKey: PMJRLFFEOOGNPP-UHFFFAOYSA-N
分子式: C21H28N4O4
平均分子量: 400.5 g/mol
单同位素质量: 400.21105539

COMPUTED

结构计算性质

已同步

XLogP: 2.1
极性表面积: 94.9 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 6
重原子: 29
形式电荷: 0
复杂度: 645

ALIASES

名称与别名

共 5 条

tert-Butyl {1-[2-(6-cyano-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl}carbamatePMJRLFFEOOGNPP-UHFFFAOYSA-N917342-03-1DB-321534tert-Butyl{1-[2-(6-cyano-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl}carbamate

REACTIONS

相关反应

3 条

uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07875715B2

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

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uspto-grants-2012_02 · 10.6084/m9.figshare.5104873.v1 · US08124602B2

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