uspto-grants-2011_09 · 10.6084/m9.figshare.5104873.v1 · US08026234B2
查看![(R)-4-(9-cyclohexyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-N-(quinuclidin-3-yl)benzamide 分子结构式](/api/mol/25254155/svg/360x280.svg)
HCID25254155
(R)-4-(9-cyclohexyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-N-(quinuclidin-3-yl)benzamide
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-[(9-cyclohexyl-7,7-difluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxybenzamide
C29H37F2N7O3569.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COc1cc(C(=O)N[C@H]2CN3CCC2CC3)ccc1Nc1ncc2c(n1)N(C1CCCCC1)CC(F)(F)C(=O)N2C
- InChIKey
- MZPDNQNTPXGXNU-QFIPXVFZSA-N
- 分子式
- C29H37F2N7O3
- 平均分子量
- 569.6 g/mol
- 单同位素质量
- 569.29259439
COMPUTED
结构计算性质
- XLogP
- 4
- 极性表面积
- 103 Ų
- 氢键供体
- 2
- 氢键受体
- 10
- 可旋转键
- 6
- 重原子
- 41
- 形式电荷
- 0
- 复杂度
- 945
ALIASES
名称与别名
(R)-4-(9-cyclohexyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-N-(quinuclidin-3-yl)benzamideSCHEMBL1675630
REACTIONS
参与反应
uspto-grants-2012_11 · 10.6084/m9.figshare.5104873.v1 · US08318727B2
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