uspto-grants-2013_01 · 10.6084/m9.figshare.5104873.v1 · US08354401B2
查看![(R)-3-{4-[4-(5-cyclopropyl-3-methylpyridin-2-yl)piperazine-1-carbonyl]-3-(1,1-dioxoisothiazolidin-2-yl)phenyl}-4-ethyloxazolidin-2-one 分子结构式](/api/mol/58484781/svg/360x280.svg)
HCID58484781
(R)-3-{4-[4-(5-cyclopropyl-3-methylpyridin-2-yl)piperazine-1-carbonyl]-3-(1,1-dioxoisothiazolidin-2-yl)phenyl}-4-ethyloxazolidin-2-one
(4R)-3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-ethyl-1,3-oxazolidin-2-one
C28H35N5O5S553.7 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CC[C@@H]1COC(=O)N1c1ccc(C(=O)N2CCN(c3ncc(C4CC4)cc3C)CC2)c(N2CCCS2(=O)=O)c1
- InChIKey
- KWNBMUUGEXWOTJ-JOCHJYFZSA-N
- 分子式
- C28H35N5O5S
- 平均分子量
- 553.7 g/mol
- 单同位素质量
- 553.23589041
COMPUTED
结构计算性质
- XLogP
- 3.3
- 极性表面积
- 112 Ų
- 氢键供体
- 0
- 氢键受体
- 8
- 可旋转键
- 6
- 重原子
- 39
- 形式电荷
- 0
- 复杂度
- 1,020
ALIASES
名称与别名
SCHEMBL2366012KWNBMUUGEXWOTJ-JOCHJYFZSA-N(R)-3-{4-[4-(5-cyclopropyl-3-methylpyridin-2-yl)piperazine-1-carbonyl]-3-(1,1-dioxoisothiazolidin-2-yl)phenyl}-4-ethyloxazolidin-2-one
REACTIONS
参与反应