uspto-grants-2012_04 · 10.6084/m9.figshare.5104873.v1 · US08163763B2
查看![(S)-1-ethyl-3-(4-(7-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)-4-(3-methylmorpholino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl)urea 分子结构式](/api/mol/59239115/svg/360x280.svg)
HCID59239115
(S)-1-ethyl-3-(4-(7-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)-4-(3-methylmorpholino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl)urea
1-ethyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-7-(1-methyl-2-oxo-4-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
C27H33N7O3503.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CCN(c2ccn(C)c(=O)c2)C3)cc1
- InChIKey
- YIMYACKJHRFUDU-SFHVURJKSA-N
- 分子式
- C27H33N7O3
- 平均分子量
- 503.6 g/mol
- 单同位素质量
- 503.26448794
COMPUTED
结构计算性质
- XLogP
- 1.6
- 极性表面积
- 103 Ų
- 氢键供体
- 2
- 氢键受体
- 7
- 可旋转键
- 5
- 重原子
- 37
- 形式电荷
- 0
- 复杂度
- 887
ALIASES
名称与别名
SCHEMBL1841131YIMYACKJHRFUDU-SFHVURJKSA-N(S)-1-ethyl-3-(4-(7-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)-4-(3-methylmorpholino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl)urea
REACTIONS
参与反应