HRID1804366
uspto-grants-2013_01
作为生成物
uspto-grants-2013_01 · 10.6084/m9.figshare.5104873.v1 · US08354401B2
查看条件与参与物HCID58484682
(S)-3-{4-[4-(5-cyclopropyl-3-methylpyridin-2-yl)piperazine-1-carbonyl]-3-(1,1-dioxoisothiazolidin-2-yl)phenyl}-5-methyloxazolidin-2-one
(5S)-3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-5-methyl-1,3-oxazolidin-2-one
C27H33N5O5S539.6 g/mol
IDENTITY
结构与身份
- 标准 SMILES
- Cc1cc(C2CC2)cnc1N1CCN(C(=O)c2ccc(N3C[C@H](C)OC3=O)cc2N2CCCS2(=O)=O)CC1
- InChIKey
- AUWPKDWJWBQIFW-IBGZPJMESA-N
- 分子式
- C27H33N5O5S
- 平均分子量
- 539.6 g/mol
- 单同位素质量
- 539.22024034
COMPUTED
结构计算性质
- XLogP
- 2.8
- 极性表面积
- 112 Ų
- 氢键供体
- 0
- 氢键受体
- 8
- 可旋转键
- 5
- 重原子
- 38
- 形式电荷
- 0
- 复杂度
- 1,010
ALIASES
名称与别名
SCHEMBL2366391AUWPKDWJWBQIFW-IBGZPJMESA-N(S)-3-{4-[4-(5-cyclopropyl-3-methylpyridin-2-yl)piperazine-1-carbonyl]-3-(1,1-dioxoisothiazolidin-2-yl)phenyl}-5-methyloxazolidin-2-one
REACTIONS