uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08202862B2
查看![{3-[3-(2-Methoxyethyl)-1,2,4-oxadiazol-5-yl]-5-[4-(2,2,2-trifluoroethyl)phenyl]piperidin-1-yl}-(thiomorpholin-4-yl)methanone 分子结构式](/api/mol/59606583/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- COCCc1noc(C2CC(c3ccc(CC(F)(F)F)cc3)CN(C(=O)N3CCSCC3)C2)n1
- InChIKey
- VXLIXKKJSXGNQC-UHFFFAOYSA-N
- 分子式
- C23H29F3N4O3S
- 平均分子量
- 498.6 g/mol
- 单同位素质量
- 498.19124646
COMPUTED
结构计算性质
- XLogP
- 3.6
- 极性表面积
- 97 Ų
- 氢键供体
- 0
- 氢键受体
- 9
- 可旋转键
- 6
- 重原子
- 34
- 形式电荷
- 0
- 复杂度
- 660
ALIASES
名称与别名
{3-[3-(2-Methoxyethyl)-1,2,4-oxadiazol-5-yl]-5-[4-(2,2,2-trifluoroethyl)phenyl]piperidin-1-yl}-(thiomorpholin-4-yl)methanoneSCHEMBL3763534
REACTIONS
参与反应
uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08202862B2
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uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08202862B2
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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
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uspto-grants-2013_05 · 10.6084/m9.figshare.5104873.v1 · US08440657B2
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uspto-grants-2013_05 · 10.6084/m9.figshare.5104873.v1 · US08440657B2
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uspto-grants-2013_05 · 10.6084/m9.figshare.5104873.v1 · US08440657B2
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