uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08829209B2
查看![2-[4-[2-(4-Methyl-1-piperazinyl)-4-thiazolyl]phenyl]-3-oxa-1-azaspiro[4.5]dec-1-en-4-one 分子结构式](/api/mol/57672803/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- CN1CCN(c2nc(-c3ccc(C4=NC5(CCCCC5)C(=O)O4)cc3)cs2)CC1
- InChIKey
- FNSQNUDCAXIWGP-UHFFFAOYSA-N
- 分子式
- C22H26N4O2S
- 平均分子量
- 410.5 g/mol
- 单同位素质量
- 410.17764726
COMPUTED
结构计算性质
- XLogP
- 4
- 极性表面积
- 86.3 Ų
- 氢键供体
- 0
- 氢键受体
- 7
- 可旋转键
- 3
- 重原子
- 29
- 形式电荷
- 0
- 复杂度
- 635
ALIASES
名称与别名
SCHEMBL1837308FNSQNUDCAXIWGP-UHFFFAOYSA-N2-[4-[2-(4-Methyl-1-piperazinyl)-4-thiazolyl]phenyl]-3-oxa-1-azaspiro[4.5]dec-1-en-4-one
REACTIONS
相关反应
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