uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822699B2
查看![8-(3,4-Difluorophenyl)-8-(methoxymethyl)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine 分子结构式](/api/mol/66604083/svg/360x280.svg)
HCID66604083
8-(3,4-Difluorophenyl)-8-(methoxymethyl)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine
5-[4-[8-(3,4-difluorophenyl)-8-(methoxymethyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenyl]-2-methyl-1,3-oxazole
C25H24F2N4O3466.5 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COCC1(c2ccc(F)c(F)c2)CCCn2c(-c3ccc(-c4cnc(C)o4)c(OC)c3)nnc21
- InChIKey
- ZREJULDKVOZPRI-UHFFFAOYSA-N
- 分子式
- C25H24F2N4O3
- 平均分子量
- 466.5 g/mol
- 单同位素质量
- 466.18164696
COMPUTED
结构计算性质
- XLogP
- 3.8
- 极性表面积
- 75.2 Ų
- 氢键供体
- 0
- 氢键受体
- 8
- 可旋转键
- 6
- 重原子
- 34
- 形式电荷
- 0
- 复杂度
- 693
ALIASES
名称与别名
SCHEMBL138763ZREJULDKVOZPRI-UHFFFAOYSA-N8-(3,4-difluorophenyl)-8-(methoxymethyl)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine
REACTIONS
参与反应
uspto-grants-2014_12 · 10.6084/m9.figshare.5104873.v1 · US08901309B2
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