uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846656B2
查看![Racemic tert-butyl 4-(2-(2,6-dimethylphenyl)-6-(5-isopropyl-2-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)-(trans)-2,5-dimethylpiperazine-1-carboxylate 分子结构式](/api/mol/71244713/svg/360x280.svg)
HCID71244713
Racemic tert-butyl 4-(2-(2,6-dimethylphenyl)-6-(5-isopropyl-2-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)-(trans)-2,5-dimethylpiperazine-1-carboxylate
tert-butyl (2S,5R)-4-[2-(2,6-dimethylphenyl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate
C36H49N5O2583.8 g/mol
IDENTITY
结构与身份
- 标准SMILES
- Cc1ccc(C(C)C)cc1N1CCc2nc(-c3c(C)cccc3C)nc(N3C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]3C)c2C1
- InChIKey
- GZIKKVOOLRLSNT-SXOMAYOGSA-N
- 分子式
- C36H49N5O2
- 平均分子量
- 583.8 g/mol
- 单同位素质量
- 583.38862582
COMPUTED
结构计算性质
- XLogP
- 7.8
- 极性表面积
- 61.8 Ų
- 氢键供体
- 0
- 氢键受体
- 6
- 可旋转键
- 6
- 重原子
- 43
- 形式电荷
- 0
- 复杂度
- 927
物化、安全与法规信息正在同步。
ALIASES
名称与别名
SCHEMBL14671785GZIKKVOOLRLSNT-SXOMAYOGSA-Nracemic tert-butyl 4-(2-(2,6-dimethylphenyl)-6-(5-isopropyl-2-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)-(trans)-2,5-dimethylpiperazine-1-carboxylate
REACTIONS
参与反应
uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846656B2
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