uspto-grants-2013_01 · 10.6084/m9.figshare.5104873.v1 · US08354431B2
查看![4-(4-Oxo-4,5,6,7-tetrahydro-benzofuran-3-ylmethoxy)-1H-indole-2-carboxylic acid {4-hydroxy-4-[2-((3S,4S)-4-hydroxy-3-methyl-piperidin-1-yl)-ethyl]-cyclohexyl}-amide 分子结构式](/api/mol/59152667/svg/360x280.svg)
HCID59152667
4-(4-Oxo-4,5,6,7-tetrahydro-benzofuran-3-ylmethoxy)-1H-indole-2-carboxylic acid {4-hydroxy-4-[2-((3S,4S)-4-hydroxy-3-methyl-piperidin-1-yl)-ethyl]-cyclohexyl}-amide
N-[4-hydroxy-4-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]cyclohexyl]-4-[(4-oxo-6,7-dihydro-5H-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxamide
C32H41N3O6563.7 g/mol
IDENTITY
结构与身份
- 标准SMILES
- C[C@H]1CN(CCC2(O)CCC(NC(=O)c3cc4c(OCc5coc6c5C(=O)CCC6)cccc4[nH]3)CC2)CC[C@@H]1O
- InChIKey
- NEJQVFMGZMTQAZ-WVOHUAEVSA-N
- 分子式
- C32H41N3O6
- 平均分子量
- 563.7 g/mol
- 单同位素质量
- 563.29953604
COMPUTED
结构计算性质
- XLogP
- 3.5
- 极性表面积
- 128 Ų
- 氢键供体
- 4
- 氢键受体
- 7
- 可旋转键
- 8
- 重原子
- 41
- 形式电荷
- 0
- 复杂度
- 925
ALIASES
名称与别名
SCHEMBL2317519SCHEMBL12433047NEJQVFMGZMTQAZ-WVOHUAEVSA-N4-(4-Oxo-4,5,6,7-tetrahydro-benzofuran-3-ylmethoxy)-1H-indole-2-carboxylic acid {4-hydroxy-4-[2-((3S,4S)-4-hydroxy-3-methyl-piperidin-1-yl)-ethyl]-cyclohexyl}-amide
REACTIONS
参与反应