HCID59970509

(1S,2R)-N-[4'-(2-Hydroxy-1-methyl-4-pyridin-3-yl-butoxy)-2-methylbiphenyl-4-yl]acetamide

N-[4-[4-[(2S,3R)-3-hydroxy-5-pyridin-3-ylpentan-2-yl]oxyphenyl]-3-methylphenyl]acetamide

C25H28N2O3404.5 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: CC(=O)Nc1ccc(-c2ccc(O[C@@H](C)[C@H](O)CCc3cccnc3)cc2)c(C)c1
InChIKey: DSGWFDHAIIQHTB-AVRWGWEMSA-N
分子式: C25H28N2O3
平均分子量: 404.5 g/mol
单同位素质量: 404.20999276

COMPUTED

结构计算性质

已同步

XLogP: 4.1
极性表面积: 71.5 Å²
氢键供体: 2
氢键受体: 4
可旋转键: 8
重原子: 30
形式电荷: 0
复杂度: 521

ALIASES

名称与别名

共 3 条

SCHEMBL7966718DSGWFDHAIIQHTB-AVRWGWEMSA-N(1S,2R)-N-[4'-(2-Hydroxy-1-methyl-4-pyridin-3-yl-butoxy)-2-methylbiphenyl-4-yl]acetamide

REACTIONS

参与反应

1 条

HRID 380016 反应方程式

uspto-grants-2001_10 · 10.6084/m9.figshare.5104873.v1 · US06300352B1