uspto-grants-2013_01 · 10.6084/m9.figshare.5104873.v1 · US08354401B2
查看![(R)-4-benzoyloxymethyl-3-{4-[4-(5-cyclopropyl-3-methylpyridin-2-yl)piperazine-1-carbonyl]-3-(1,1-dioxoisothiazolidin-2-yl)phenyl}oxazolidin-2-one 分子结构式](/api/mol/58484525/svg/360x280.svg)
HCID58484525
(R)-4-benzoyloxymethyl-3-{4-[4-(5-cyclopropyl-3-methylpyridin-2-yl)piperazine-1-carbonyl]-3-(1,1-dioxoisothiazolidin-2-yl)phenyl}oxazolidin-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]-2-oxo-1,3-oxazolidin-4-yl]methyl benzoate
C34H37N5O7S659.8 g/mol
IDENTITY
结构与身份
- 标准SMILES
- Cc1cc(C2CC2)cnc1N1CCN(C(=O)c2ccc(N3C(=O)OC[C@H]3COC(=O)c3ccccc3)cc2N2CCCS2(=O)=O)CC1
- InChIKey
- SGKODMQKPHHSML-MUUNZHRXSA-N
- 分子式
- C34H37N5O7S
- 平均分子量
- 659.8 g/mol
- 单同位素质量
- 659.24136971
COMPUTED
结构计算性质
- XLogP
- 3.9
- 极性表面积
- 138 Ų
- 氢键供体
- 0
- 氢键受体
- 10
- 可旋转键
- 9
- 重原子
- 47
- 形式电荷
- 0
- 复杂度
- 1,260
ALIASES
名称与别名
SCHEMBL2366290SGKODMQKPHHSML-MUUNZHRXSA-N(R)-4-benzoyloxymethyl-3-{4-[4-(5-cyclopropyl-3-methylpyridin-2-yl)piperazine-1-carbonyl]-3-(1,1-dioxoisothiazolidin-2-yl)phenyl}oxazolidin-2-one
REACTIONS
参与反应