uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08524751B2
查看![2,4-Difluoro-N-[5-(4-{5-[(8aS)-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-ylmethyl]-1,3,4-oxadiazol-2-yl}-1H-indazol-6-yl)-2-(methyloxy)-3-pyridinyl]benzenesulfonamide 分子结构式](/api/mol/66691572/svg/360x280.svg)
HCID66691572
2,4-Difluoro-N-[5-(4-{5-[(8aS)-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-ylmethyl]-1,3,4-oxadiazol-2-yl}-1H-indazol-6-yl)-2-(methyloxy)-3-pyridinyl]benzenesulfonamide
N-[5-[4-[5-[[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
C29H28F2N8O4S622.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COc1ncc(-c2cc(-c3nnc(CN4CCN5CCC[C@H]5C4)o3)c3cn[nH]c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
- InChIKey
- RGHPWZPXUJJXCI-FQEVSTJZSA-N
- 分子式
- C29H28F2N8O4S
- 平均分子量
- 622.6 g/mol
- 单同位素质量
- 622.1922289
COMPUTED
结构计算性质
- XLogP
- 2.9
- 极性表面积
- 151 Ų
- 氢键供体
- 2
- 氢键受体
- 13
- 可旋转键
- 8
- 重原子
- 44
- 形式电荷
- 0
- 复杂度
- 1,090
ALIASES
名称与别名
SCHEMBL456900RGHPWZPXUJJXCI-FQEVSTJZSA-N2,4-Difluoro-N-[5-(4-{5-[(8aS)-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-ylmethyl]-1,3,4-oxadiazol-2-yl}-1H-indazol-6-yl)-2-(methyloxy)-3-pyridinyl]benzenesulfonamide
REACTIONS
参与反应
uspto-grants-2016_05 · 10.6084/m9.figshare.5104873.v1 · US09326987B2
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