HCID68304821

Tert-butyl 7-iodo-4a-methyl-3,4,4a,9a-tetrahydro[1]benzofuro[2,3-c]pyridine-2(1H)-carboxylate

tert-butyl 7-iodo-4a-methyl-1,3,4,9a-tetrahydro-[1]benzofuro[2,3-c]pyridine-2-carboxylate

C17H22INO3415.27 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)OC(=O)N1CCC2(C)c3ccc(I)cc3OC2C1
InChIKey: MCTHEZWVMDTQKH-UHFFFAOYSA-N
分子式: C17H22INO3
平均分子量: 415.27 g/mol
单同位素质量: 415.06444

COMPUTED

结构计算性质

已同步

XLogP: 4
极性表面积: 38.8 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 2
重原子: 22
形式电荷: 0
复杂度: 450

ALIASES

名称与别名

共 4 条

SCHEMBL12517218MCTHEZWVMDTQKH-UHFFFAOYSA-Ntert-butyl 7-iodo-4a-methyl-3,4,4a,9a tetrahydro[1]benzofuro[2,3-c]pyridine-2(1H)-carboxylateTert-butyl 7-iodo-4a-methyl-3,4,4a,9a-tetrahydro[1]benzofuro[2,3-c]pyridine-2(1H)-carboxylate

REACTIONS

参与反应

2 条

uspto-grants-2014_07 · 10.6084/m9.figshare.5104873.v1 · US08765779B2

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uspto-grants-2014_07 · 10.6084/m9.figshare.5104873.v1 · US08765779B2

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