uspto-grants-2014_03 · 10.6084/m9.figshare.5104873.v1 · US08673894B2
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HCID54579362
(R)-N-(3-(3-Amino-6,6-difluoro-5-methyl-2,5,6,7-tetrahydro-1,4-oxazepin-5-yl)-4-fluorophenyl)-5-(difluoromethyl)pyrazine-2-carboxamide formate
N-[3-[(5R)-3-amino-6,6-difluoro-5-methyl-2,7-dihydro-1,4-oxazepin-5-yl]-4-fluorophenyl]-5-(difluoromethyl)pyrazine-2-carboxamide;formic acid
C19H18F5N5O4475.4 g/mol
IDENTITY
结构与身份
- 标准SMILES
- C[C@]1(c2cc(NC(=O)c3cnc(C(F)F)cn3)ccc2F)N=C(N)COCC1(F)F.O=CO
- InChIKey
- CHTUMAXYQDYKBT-UNTBIKODSA-N
- 分子式
- C19H18F5N5O4
- 平均分子量
- 475.4 g/mol
- 单同位素质量
- 475.12789488
COMPUTED
结构计算性质
- 极性表面积
- 140 Ų
- 氢键供体
- 3
- 氢键受体
- 12
- 可旋转键
- 4
- 重原子
- 33
- 形式电荷
- 0
- 复杂度
- 677
ALIASES
名称与别名
(R)-N-(3-(3-Amino-6,6-difluoro-5-methyl-2,5,6,7-tetrahydro-1,4-oxazepin-5-yl)-4-fluorophenyl)-5-(difluoromethyl)pyrazine-2-carboxamide formateSCHEMBL15467656
REACTIONS
参与反应