uspto-grants-2011_10 · 10.6084/m9.figshare.5104873.v1 · US08030306B2
查看![(R)-4-(3-(1-(benzyloxy)ethyl)-8-(4-chlorophenyl)-5-((2-methyl-6-(trifluoromethyl)pyridin-3-yl)methyl)-6-oxo-5,6-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)benzonitrile 分子结构式](/api/mol/67128886/svg/360x280.svg)
HCID67128886
(R)-4-(3-(1-(benzyloxy)ethyl)-8-(4-chlorophenyl)-5-((2-methyl-6-(trifluoromethyl)pyridin-3-yl)methyl)-6-oxo-5,6-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)benzonitrile
4-[8-(4-chlorophenyl)-5-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]-6-oxo-3-[(1R)-1-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]benzonitrile
C35H26ClF3N6O2655.1 g/mol
IDENTITY
结构与身份
- 标准SMILES
- Cc1nc(C(F)(F)F)ccc1Cn1c(=O)c(-c2ccc(C#N)cc2)c(-c2ccc(Cl)cc2)c2nnc([C@@H](C)OCc3ccccc3)n21
- InChIKey
- PNLXSXWWYZLUOD-JOCHJYFZSA-N
- 分子式
- C35H26ClF3N6O2
- 平均分子量
- 655.1 g/mol
- 单同位素质量
- 654.1757863
COMPUTED
结构计算性质
- XLogP
- 6
- 极性表面积
- 96.9 Ų
- 氢键供体
- 0
- 氢键受体
- 9
- 可旋转键
- 8
- 重原子
- 47
- 形式电荷
- 0
- 复杂度
- 1,170
ALIASES
名称与别名
(R)-4-(3-(1-(benzyloxy)ethyl)-8-(4-chlorophenyl)-5-((2-methyl-6-(trifluoromethyl)pyridin-3-yl)methyl)-6-oxo-5,6-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)benzonitrileSCHEMBL1707614(R) -4-(3-(1-(benzyloxy)ethyl)-8-(4-chlorophenyl)-5-((2-methyl-6-(trifluoromethyl)pyridin-3-yl)methyl)-6-oxo-5,6-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)benzonitrile
REACTIONS
参与反应
uspto-grants-2011_10 · 10.6084/m9.figshare.5104873.v1 · US08030306B2
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