HRID1181691
uspto-grants-2007_10
作为生成物
uspto-grants-2007_10 · 10.6084/m9.figshare.5104873.v1 · US07285558B2
查看条件与参与物HCID58981021
methyl 5-{2-[(5-bromo-1H-indol-3-yl)methyl]-7-isobutyl-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl}-1-methyl-1H-pyrrole-3-carboxylate
methyl 5-[2-[(5-bromo-1H-indol-3-yl)methyl]-5-methyl-7-(2-methylpropyl)-4,6-dioxopyrazolo[3,4-d]pyrimidin-3-yl]-1-methylpyrrole-3-carboxylate
C26H27BrN6O4567.4 g/mol
IDENTITY
结构与身份
- 标准 SMILES
- COC(=O)c1cc(-c2c3c(=O)n(C)c(=O)n(CC(C)C)c3nn2Cc2c[nH]c3ccc(Br)cc23)n(C)c1
- InChIKey
- KTIACSGPKWGXIT-UHFFFAOYSA-N
- 分子式
- C26H27BrN6O4
- 平均分子量
- 567.4 g/mol
- 单同位素质量
- 566.12772
COMPUTED
结构计算性质
- XLogP
- 3.5
- 极性表面积
- 105 Ų
- 氢键供体
- 1
- 氢键受体
- 5
- 可旋转键
- 7
- 重原子
- 37
- 形式电荷
- 0
- 复杂度
- 906
ALIASES
名称与别名
SCHEMBL5407667KTIACSGPKWGXIT-UHFFFAOYSA-Nmethyl 5-{2-[(5-bromo-1H-indol-3-yl)methyl]-7-isobutyl-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl}-1-methyl-1H-pyrrole-3-carboxylate
REACTIONS