uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07745641B2
查看![4-Methanesulfonyloxy-5-methyl-7-{1-(tert-butoxycarbonyl)-5-[4-(2-hydroxyethyl)pyperazin-1-ylmethyl]indol-2-yl}isoindolinone 分子结构式](/api/mol/87486567/svg/360x280.svg)
HCID87486567
4-Methanesulfonyloxy-5-methyl-7-{1-(tert-butoxycarbonyl)-5-[4-(2-hydroxyethyl)pyperazin-1-ylmethyl]indol-2-yl}isoindolinone
tert-butyl 5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-(6-methyl-7-methylsulfonyloxy-3-oxo-1,2-dihydroisoindol-4-yl)indole-1-carboxylate
C30H38N4O7S598.7 g/mol
IDENTITY
结构与身份
- 标准SMILES
- Cc1cc(-c2cc3cc(CN4CCN(CCO)CC4)ccc3n2C(=O)OC(C)(C)C)c2c(c1OS(C)(=O)=O)CNC2=O
- InChIKey
- OMTUCWTXPKYVQE-UHFFFAOYSA-N
- 分子式
- C30H38N4O7S
- 平均分子量
- 598.7 g/mol
- 单同位素质量
- 598.24612074
COMPUTED
结构计算性质
- XLogP
- 2.7
- 极性表面积
- 139 Ų
- 氢键供体
- 2
- 氢键受体
- 9
- 可旋转键
- 9
- 重原子
- 42
- 形式电荷
- 0
- 复杂度
- 1,080
物化、安全与法规信息正在同步。
ALIASES
名称与别名
SCHEMBL3155097OMTUCWTXPKYVQE-UHFFFAOYSA-N4-methanesulfonyloxy-5-methyl-7-{1-(tert-butoxycarbonyl)-5-[4-(2-hydroxyethyl)pyperazin-1-ylmethyl]indol-2-yl}isoindolinone
REACTIONS
参与反应