HCID86642633

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

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

C21H29N3O6419.5 g/mol

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: COc1ccc2c(c1)N(CCN1CCC(NC(=O)OC(C)(C)C)CC1=O)C(=O)CO2
InChIKey: CRGUFASFOIHWDT-UHFFFAOYSA-N
分子式: C21H29N3O6
平均分子量: 419.5 g/mol
单同位素质量: 419.20563565

COMPUTED

结构计算性质

已同步

XLogP: 1.4
极性表面积: 97.4 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 7
重原子: 30
形式电荷: 0
复杂度: 649

ALIASES

名称与别名

共 3 条

CRGUFASFOIHWDT-UHFFFAOYSA-Ntert-Butyl {1-[2-(6-methoxy-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]-2-oxopiperidin-4-yl}carbamatetert-Butyl{1-[2-(6-methoxy-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]-2-oxopiperidin-4-yl}carbamate

REACTIONS

参与反应

9 条

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

查看

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

查看

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

查看

Test 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

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

查看

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

查看

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

查看