uspto-grants-2015_01 · 10.6084/m9.figshare.5104873.v1 · US08927536B2
查看![3-{1-[4-(5-Bromopyridin-3-yl)phenyl]cyclopropyl}-8-({[tert-butyl(dimethyl)silyl]oxy}methyl)-8-methyl-5,6,8,9-tetrahydro[1,2,4]triazolo[4,3-d][1,4]thiazepine 分子结构式](/api/mol/86712868/svg/360x280.svg)
HCID86712868
3-{1-[4-(5-Bromopyridin-3-yl)phenyl]cyclopropyl}-8-({[tert-butyl(dimethyl)silyl]oxy}methyl)-8-methyl-5,6,8,9-tetrahydro[1,2,4]triazolo[4,3-d][1,4]thiazepine
[3-[1-[4-(5-bromo-3-pyridinyl)phenyl]cyclopropyl]-8-methyl-6,9-dihydro-5H-[1,2,4]triazolo[4,3-d][1,4]thiazepin-8-yl]methoxy-tert-butyl-dimethylsilane
C28H37BrN4OSSi585.7 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CC1(CO[Si](C)(C)C(C)(C)C)Cc2nnc(C3(c4ccc(-c5cncc(Br)c5)cc4)CC3)n2CCS1
- InChIKey
- DHWGFNMZBOOHSS-UHFFFAOYSA-N
- 分子式
- C28H37BrN4OSSi
- 平均分子量
- 585.7 g/mol
- 单同位素质量
- 584.16407
COMPUTED
结构计算性质
- 极性表面积
- 78.1 Ų
- 氢键供体
- 0
- 氢键受体
- 5
- 可旋转键
- 7
- 重原子
- 36
- 形式电荷
- 0
- 复杂度
- 769
ALIASES
名称与别名
SCHEMBL15484059DHWGFNMZBOOHSS-UHFFFAOYSA-N3-{1-[4-(5-Bromopyridin-3-yl)phenyl]cyclopropyl}-8-({[tert-butyl(dimethyl)silyl]oxy}methyl)-8-methyl-5,6,8,9-tetrahydro[1,2,4]triazolo[4,3-d][1,4]thiazepine
REACTIONS
参与反应