uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07420043B2
查看![4-(4-cyclopropylethynyl-2-oxo-4-trifluoromethyl-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-yloxy)-butyric Acid 2,5-dioxo-pyrrolidin-1-yl Ester 分子结构式](/api/mol/87579765/svg/360x280.svg)
HCID87579765
4-(4-cyclopropylethynyl-2-oxo-4-trifluoromethyl-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-yloxy)-butyric Acid 2,5-dioxo-pyrrolidin-1-yl Ester
(2,5-dioxopyrrolidin-1-yl) 4-[[4-(2-cyclopropylethynyl)-2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-6-yl]oxy]butanoate
C22H19F3N2O7480.4 g/mol
IDENTITY
结构与身份
- 标准SMILES
- O=C(CCCOc1ccc2c(c1)C(C#CC1CC1)(C(F)(F)F)OC(=O)N2)ON1C(=O)CCC1=O
- InChIKey
- ZZIRIVWIXOEOBA-UHFFFAOYSA-N
- 分子式
- C22H19F3N2O7
- 平均分子量
- 480.4 g/mol
- 单同位素质量
- 480.11443544
COMPUTED
结构计算性质
- XLogP
- 2.6
- 极性表面积
- 111 Ų
- 氢键供体
- 1
- 氢键受体
- 10
- 可旋转键
- 8
- 重原子
- 34
- 形式电荷
- 0
- 复杂度
- 920
物化、安全与法规信息正在同步。
ALIASES
名称与别名
4-(4-cyclopropylethynyl-2-oxo-4-trifluoromethyl-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-yloxy)-butyric Acid 2,5-dioxo-pyrrolidin-1-yl EsterSCHEMBL3815721
REACTIONS
参与反应