HCID136367381

Methyl 4-[(4-{2-[(4-hydroxy-1,2-benzisoxazol-3-yl)oxy]ethyl}piperidin-1-yl)methyl]tetrahydro-2H-pyran-4-carboxylate

methyl 4-[[4-[2-[(4-hydroxy-1,2-benzoxazol-3-yl)oxy]ethyl]piperidin-1-yl]methyl]oxane-4-carboxylate

C22H30N2O6418.5 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: COC(=O)C1(CN2CCC(CCOc3noc4cccc(O)c34)CC2)CCOCC1
InChIKey: SSKYYHCSTMKPGM-UHFFFAOYSA-N
分子式: C22H30N2O6
平均分子量: 418.5 g/mol
单同位素质量: 418.21038668

COMPUTED

结构计算性质

已同步

XLogP: 2.8
极性表面积: 94.3 Å²
氢键供体: 1
氢键受体: 8
可旋转键: 8
重原子: 30
形式电荷: 0
复杂度: 562

ALIASES

名称与别名

共 3 条

SCHEMBL5120735SSKYYHCSTMKPGM-UHFFFAOYSA-NMethyl 4-[(4-{2-[(4-hydroxy-1,2-benzisoxazol-3-yl)oxy]ethyl}piperidin-1-yl)methyl]tetrahydro-2H-pyran-4-carboxylate

REACTIONS

参与反应

2 条

uspto-grants-2014_08 · 10.6084/m9.figshare.5104873.v1 · US08816090B2

查看

uspto-grants-2014_08 · 10.6084/m9.figshare.5104873.v1 · US08816090B2

查看