uspto-grants-2009_10 · 10.6084/m9.figshare.5104873.v1 · US07605269B2
查看![3-[4-(2,2-dimethyl-[1,3]dioxan-5-ylmethoxy)-3,5-dimethyl-phenyl]-5-((1aS,5aR)-1,1,2-trimethyl-1,1a,5,5a-tetrahydro-3-thia-cyclopropa[a]pentalen-4-yl)-[1,2,4]oxadiazole 分子结构式](/api/mol/68979889/svg/360x280.svg)
HCID68979889
3-[4-(2,2-dimethyl-[1,3]dioxan-5-ylmethoxy)-3,5-dimethyl-phenyl]-5-((1aS,5aR)-1,1,2-trimethyl-1,1a,5,5a-tetrahydro-3-thia-cyclopropa[a]pentalen-4-yl)-[1,2,4]oxadiazole
3-[4-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-3,5-dimethylphenyl]-5-[(2S,4R)-3,3,9-trimethyl-8-thiatricyclo[4.3.0.02,4]nona-1(9),6-dien-7-yl]-1,2,4-oxadiazole
C28H34N2O4S494.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- Cc1cc(-c2noc(-c3sc(C)c4c3C[C@@H]3[C@H]4C3(C)C)n2)cc(C)c1OCC1COC(C)(C)OC1
- InChIKey
- YYUALUDEZHMZFM-IFMALSPDSA-N
- 分子式
- C28H34N2O4S
- 平均分子量
- 494.6 g/mol
- 单同位素质量
- 494.22392874
COMPUTED
结构计算性质
- XLogP
- 6
- 极性表面积
- 94.9 Ų
- 氢键供体
- 0
- 氢键受体
- 7
- 可旋转键
- 5
- 重原子
- 35
- 形式电荷
- 0
- 复杂度
- 773
ALIASES
名称与别名
SCHEMBL4264986YYUALUDEZHMZFM-IFMALSPDSA-N3-[4-(2,2-dimethyl-[1,3]dioxan-5-ylmethoxy)-3,5-dimethyl-phenyl]-5-((1aS,5aR)-1,1,2-trimethyl-1,1a,5,5a-tetrahydro-3-thia-cyclopropa[a]pentalen-4-yl)-[1,2,4]oxadiazole
REACTIONS
参与反应
uspto-grants-2009_10 · 10.6084/m9.figshare.5104873.v1 · US07605269B2
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