HRID2222046
uspto-grants-2008_05
作为生成物
uspto-grants-2008_05 · 10.6084/m9.figshare.5104873.v1 · US07368578B2
查看条件与参与物HCID86605937
ethyl [4-(4-{[4-({[4-[(E)-2-(2-ethyl-1,3-thiazol-4-yl)ethenyl]-1-(2-methylphenyl)-1H-pyrazol-3-yl]oxy}methyl)-2-methoxyphenoxy]methyl}-5-methyl-1,3-oxazol-2-yl)phenyl]acetate
ethyl 2-[4-[4-[[4-[[4-[(E)-2-(2-ethyl-1,3-thiazol-4-yl)ethenyl]-1-(2-methylphenyl)pyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]acetate
C40H40N4O6S704.8 g/mol
IDENTITY
结构与身份
- 标准 SMILES
- CCOC(=O)Cc1ccc(-c2nc(COc3ccc(COc4nn(-c5ccccc5C)cc4/C=C/c4csc(CC)n4)cc3OC)c(C)o2)cc1
- InChIKey
- OGINFSMWIBTRMP-ISLYRVAYSA-N
- 分子式
- C40H40N4O6S
- 平均分子量
- 704.8 g/mol
- 单同位素质量
- 704.26685618
COMPUTED
结构计算性质
- XLogP
- 8.3
- 极性表面积
- 139 Ų
- 氢键供体
- 0
- 氢键受体
- 10
- 可旋转键
- 16
- 重原子
- 51
- 形式电荷
- 0
- 复杂度
- 1,100
ALIASES
名称与别名
OGINFSMWIBTRMP-ISLYRVAYSA-Nethyl [4-(4-{[4-({[4-[(E)-2-(2-ethyl-1,3-thiazol-4-yl)ethenyl]-1-(2-methylphenyl)-1H-pyrazol-3-yl]oxy}methyl)-2-methoxyphenoxy]methyl}-5-methyl-1,3-oxazol-2-yl)phenyl]acetate
REACTIONS