HCID69489452

(RS)-3-{3-[2-Methyl-6-(tetrahydro-pyran-2-yloxymethyl)-pyridin-4-yl]-phenyl}-3-oxo-propionic acid tert-butyl ester

tert-butyl 3-[3-[2-methyl-6-(oxan-2-yloxymethyl)-4-pyridinyl]phenyl]-3-oxopropanoate

C25H31NO5425.5 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: Cc1cc(-c2cccc(C(=O)CC(=O)OC(C)(C)C)c2)cc(COC2CCCCO2)n1
InChIKey: GLJQKVXUTVKHRW-UHFFFAOYSA-N
分子式: C25H31NO5
平均分子量: 425.5 g/mol
单同位素质量: 425.22022309

COMPUTED

结构计算性质

已同步

XLogP: 4.1
极性表面积: 74.7 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 9
重原子: 31
形式电荷: 0
复杂度: 601

ALIASES

名称与别名

共 3 条

SCHEMBL5562921GLJQKVXUTVKHRW-UHFFFAOYSA-N(RS)-3-{3-[2-Methyl-6-(tetrahydro-pyran-2-yloxymethyl)-pyridin-4-yl]-phenyl}-3-oxo-propionic acid tert-butyl ester

REACTIONS

相关反应

12 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

查看