HCID72344432

6-(2-Fluorophenyl)-6-(2-hydroxy-2-methylpropyl)-3-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one

C28H37BFNO5497.4 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)N1CCC(CC(C)(C)O)(c2ccccc2F)OC1=O
InChIKey: SUXFPPQUPYUMQS-UHFFFAOYSA-N
分子式: C28H37BFNO5
平均分子量: 497.4 g/mol
单同位素质量: 497.2748816

COMPUTED

结构计算性质

已同步

极性表面积: 68.2 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 6
重原子: 36
形式电荷: 0
复杂度: 783

REACTIONS

参与反应

2 条

HRID 191693 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

HRID 2348904 反应方程式

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