uspto-grants-2008_02 · 10.6084/m9.figshare.5104873.v1 · US07335672B2
查看
HCID58612011
(S)-tert-Butyl 4-(6-(3-amino-2-oxo-1,2-dihydroquinoxalin-5-yloxy)-2-((S)-1-methoxypropan-2-ylamino)pyrimidin-4-yl)-2-isobutylpiperazine-1-carboxylate
tert-butyl (2S)-4-[6-[(3-amino-2-oxo-1H-quinoxalin-5-yl)oxy]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-2-(2-methylpropyl)piperazine-1-carboxylate
C29H42N8O5582.7 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COC[C@H](C)Nc1nc(Oc2cccc3[nH]c(=O)c(N)nc23)cc(N2CCN(C(=O)OC(C)(C)C)[C@@H](CC(C)C)C2)n1
- InChIKey
- AVKRNDJURINHPZ-OALUTQOASA-N
- 分子式
- C29H42N8O5
- 平均分子量
- 582.7 g/mol
- 单同位素质量
- 582.32781647
COMPUTED
结构计算性质
- XLogP
- 3.7
- 极性表面积
- 157 Ų
- 氢键供体
- 3
- 氢键受体
- 10
- 可旋转键
- 11
- 重原子
- 42
- 形式电荷
- 0
- 复杂度
- 959
ALIASES
名称与别名
SCHEMBL14268211AVKRNDJURINHPZ-OALUTQOASA-N(S)-tert-Butyl 4-(6-(3-amino-2-oxo-1,2-dihydroquinoxalin-5-yloxy)-2-((S)-1-methoxypropan-2-ylamino)pyrimidin-4-yl)-2-isobutylpiperazine-1-carboxylate
REACTIONS
参与反应