uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08088761B2
查看![tert-Butyl 4-(4-(6-bromo-7-(4-(thiazol-4-ylmethyl)piperazin-1-yl)-3H-imidazo[4,5-b]pyridin-2-yl)benzyl)piperazine-1-carboxylate 分子结构式](/api/mol/178452297/svg/360x280.svg)
HCID178452297
tert-Butyl 4-(4-(6-bromo-7-(4-(thiazol-4-ylmethyl)piperazin-1-yl)-3H-imidazo[4,5-b]pyridin-2-yl)benzyl)piperazine-1-carboxylate
tert-butyl 4-[[4-[6-bromo-7-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]piperazine-1-carboxylate
C30H37BrN8O2S653.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3nc4c(N5CCN(Cc6cscn6)CC5)c(Br)cnc4[nH]3)cc2)CC1
- InChIKey
- PMLPCXLSPZBHEI-UHFFFAOYSA-N
- 分子式
- C30H37BrN8O2S
- 平均分子量
- 653.6 g/mol
- 单同位素质量
- 652.19436
COMPUTED
结构计算性质
- XLogP
- 4.1
- 极性表面积
- 122 Ų
- 氢键供体
- 1
- 氢键受体
- 9
- 可旋转键
- 8
- 重原子
- 42
- 形式电荷
- 0
- 复杂度
- 889
ALIASES
名称与别名
PMLPCXLSPZBHEI-UHFFFAOYSA-Ntert-Butyl 4-(4-(6-bromo-7-(4-(thiazol-4-ylmethyl)piperazin-1-yl)-3H-imidazo[4,5-b]pyridin-2-yl)benzyl)piperazine-1-carboxylate
REACTIONS
参与反应