uspto-grants-2009_01 · 10.6084/m9.figshare.5104873.v1 · US07482448B2
查看![Morpholine-4-carboxylic acid {(s)-1-[(s)-1-(3-cyclopropyl-1,2,4-oxadiazole-5-carbonyl)-propylcarbamoyl]-3,3-difluoro-hexyl}-amide 分子结构式](/api/mol/11178915/svg/360x280.svg)
HCID11178915
Morpholine-4-carboxylic acid {(s)-1-[(s)-1-(3-cyclopropyl-1,2,4-oxadiazole-5-carbonyl)-propylcarbamoyl]-3,3-difluoro-hexyl}-amide
N-[(2S)-1-[[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]amino]-4,4-difluoro-1-oxoheptan-2-yl]morpholine-4-carboxamide
C21H31F2N5O5471.5 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CCCC(F)(F)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](CC)C(=O)c1nc(C2CC2)no1
- InChIKey
- QLVBPRWPCQPDFJ-GJZGRUSLSA-N
- 分子式
- C21H31F2N5O5
- 平均分子量
- 471.5 g/mol
- 单同位素质量
- 471.22932543
COMPUTED
结构计算性质
- XLogP
- 2.3
- 极性表面积
- 127 Ų
- 氢键供体
- 2
- 氢键受体
- 9
- 可旋转键
- 11
- 重原子
- 33
- 形式电荷
- 0
- 复杂度
- 703
ALIASES
名称与别名
morpholine-4-carboxylic acid {(s)-1-[(s)-1-(3-cyclopropyl-1,2,4-oxadiazole-5-carbonyl)-propylcarbamoyl]-3,3-difluoro-hexyl}-amideCHEMBL403019SCHEMBL13937547
REACTIONS
参与反应