uspto-grants-2012_02 · 10.6084/m9.figshare.5104873.v1 · US08119663B2
查看![1-({3-{3-[2-(Propan-2-yloxy)ethyl]-1,2,4-oxadiazol-5-yl}-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)piperidine-4-carbonitrile 分子结构式](/api/mol/58002331/svg/360x280.svg)
HCID58002331
1-({3-{3-[2-(Propan-2-yloxy)ethyl]-1,2,4-oxadiazol-5-yl}-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)piperidine-4-carbonitrile
1-[3-[3-(2-propan-2-yloxyethyl)-1,2,4-oxadiazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]piperidine-4-carbonitrile
C26H32F3N5O3519.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CC(C)OCCc1noc(C2CC(c3ccc(C(F)(F)F)cc3)CN(C(=O)N3CCC(C#N)CC3)C2)n1
- InChIKey
- LGCDIRGXRXYAAP-UHFFFAOYSA-N
- 分子式
- C26H32F3N5O3
- 平均分子量
- 519.6 g/mol
- 单同位素质量
- 519.24572439
COMPUTED
结构计算性质
- XLogP
- 3.7
- 极性表面积
- 95.5 Ų
- 氢键供体
- 0
- 氢键受体
- 9
- 可旋转键
- 6
- 重原子
- 37
- 形式电荷
- 0
- 复杂度
- 803
ALIASES
名称与别名
1-({3-{3-[2-(Propan-2-yloxy)ethyl]-1,2,4-oxadiazol-5-yl}-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)piperidine-4-carbonitrileSCHEMBL641387
REACTIONS
参与反应