uspto-grants-2015_10 · 10.6084/m9.figshare.5104873.v1 · US09156827B2
查看![tert-butyl (Z)-4-({6-methoxy-3-oxo-2-[(1-tosyl-1H-indol-3-yl)methylene]-2,3-dihydrobenzofuran-7-yl}methyl)piperazine-1-carboxylate 分子结构式](/api/mol/86682012/svg/360x280.svg)
HCID86682012
tert-butyl (Z)-4-({6-methoxy-3-oxo-2-[(1-tosyl-1H-indol-3-yl)methylene]-2,3-dihydrobenzofuran-7-yl}methyl)piperazine-1-carboxylate
tert-butyl 4-[[(2Z)-6-methoxy-2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methylidene]-3-oxo-1-benzofuran-7-yl]methyl]piperazine-1-carboxylate
C35H37N3O7S643.7 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COc1ccc2c(c1CN1CCN(C(=O)OC(C)(C)C)CC1)O/C(=C\c1cn(S(=O)(=O)c3ccc(C)cc3)c3ccccc13)C2=O
- InChIKey
- WNAMBBMQLGNNPV-GTWSWNCMSA-N
- 分子式
- C35H37N3O7S
- 平均分子量
- 643.7 g/mol
- 单同位素质量
- 643.2352217
COMPUTED
结构计算性质
- XLogP
- 5.7
- 极性表面积
- 116 Ų
- 氢键供体
- 0
- 氢键受体
- 8
- 可旋转键
- 8
- 重原子
- 46
- 形式电荷
- 0
- 复杂度
- 1,240
ALIASES
名称与别名
WNAMBBMQLGNNPV-GTWSWNCMSA-Ntert-butyl (Z)-4-({6-methoxy-3-oxo-2-[(1-tosyl-1H-indol-3-yl)methylene]-2,3-dihydrobenzofuran-7-yl}methyl)piperazine-1-carboxylate
REACTIONS
参与反应
uspto-grants-2015_10 · 10.6084/m9.figshare.5104873.v1 · US09156827B2
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