uspto-grants-2015_10 · 10.6084/m9.figshare.5104873.v1 · US09163029B2
查看![1-[(3-methyl-1,2-oxazol-4-yl)carbonyl]-10a-{4-[2-(morpholin-4-yl)ethoxy]phenyl}-2,3,10,10a-tetrahydro-1H,5H-imidazo[1,2-a]pyrrolo[1,2-d]pyrazin-5-one 分子结构式](/api/mol/58406339/svg/360x280.svg)
HCID58406339
1-[(3-methyl-1,2-oxazol-4-yl)carbonyl]-10a-{4-[2-(morpholin-4-yl)ethoxy]phenyl}-2,3,10,10a-tetrahydro-1H,5H-imidazo[1,2-a]pyrrolo[1,2-d]pyrazin-5-one
4-(3-methyl-1,2-oxazole-4-carbonyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]-1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-dien-8-one
C26H29N5O5491.5 g/mol
IDENTITY
结构与身份
- 标准SMILES
- Cc1nocc1C(=O)N1CCN2C(=O)c3cccn3CC12c1ccc(OCCN2CCOCC2)cc1
- InChIKey
- AQKUTXWARCWJDM-UHFFFAOYSA-N
- 分子式
- C26H29N5O5
- 平均分子量
- 491.5 g/mol
- 单同位素质量
- 491.21686904
COMPUTED
结构计算性质
- XLogP
- 1
- 极性表面积
- 93.3 Ų
- 氢键供体
- 0
- 氢键受体
- 7
- 可旋转键
- 6
- 重原子
- 36
- 形式电荷
- 0
- 复杂度
- 817
ALIASES
名称与别名
SCHEMBL2337086AQKUTXWARCWJDM-UHFFFAOYSA-N1-[(3-methyl-1,2-oxazol-4-yl)carbonyl]-10a-{4-[2-(morpholin-4-yl)ethoxy]phenyl}-2,3,10,10a-tetrahydro-1H,5H-imidazo[1,2-a]pyrrolo[1,2-d]pyrazin-5-one
REACTIONS
参与反应
uspto-grants-2013_12 · 10.6084/m9.figshare.5104873.v1 · US08604034B2
查看