uspto-grants-2012_12 · 10.6084/m9.figshare.5104873.v1 · US08329691B2
查看![tert-butyl (3S,5R)-3-[({2-tert-butyl-4-[(3-methoxypropyl)amino]pyrimidin-5-yl}carbonyl)(2-methylpropyl)amino]-5-(2,3-dihydro-1H-indol-1-ylcarbonyl)piperidine-1-carboxylate 分子结构式](/api/mol/59625259/svg/360x280.svg)
HCID59625259
tert-butyl (3S,5R)-3-[({2-tert-butyl-4-[(3-methoxypropyl)amino]pyrimidin-5-yl}carbonyl)(2-methylpropyl)amino]-5-(2,3-dihydro-1H-indol-1-ylcarbonyl)piperidine-1-carboxylate
tert-butyl (3S,5R)-3-[[2-tert-butyl-4-(3-methoxypropylamino)pyrimidine-5-carbonyl]-(2-methylpropyl)amino]-5-(2,3-dihydroindole-1-carbonyl)piperidine-1-carboxylate
C36H54N6O5650.9 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COCCCNc1nc(C(C)(C)C)ncc1C(=O)N(CC(C)C)[C@H]1C[C@@H](C(=O)N2CCc3ccccc32)CN(C(=O)OC(C)(C)C)C1
- InChIKey
- OKSQBSIMBVEYTH-SXOMAYOGSA-N
- 分子式
- C36H54N6O5
- 平均分子量
- 650.9 g/mol
- 单同位素质量
- 650.41556884
COMPUTED
结构计算性质
- XLogP
- 5.9
- 极性表面积
- 117 Ų
- 氢键供体
- 1
- 氢键受体
- 8
- 可旋转键
- 13
- 重原子
- 47
- 形式电荷
- 0
- 复杂度
- 1,060
ALIASES
名称与别名
SCHEMBL12991352OKSQBSIMBVEYTH-SXOMAYOGSA-Ntert-butyl (3S,5R)-3-[({2-tert-butyl-4-[(3-methoxypropyl)amino]pyrimidin-5-yl}carbonyl)(2-methylpropyl)amino]-5-(2,3-dihydro-1H-indol-1-ylcarbonyl)piperidine-1-carboxylate
REACTIONS
参与反应