huagongshe.com
结构：CC1(C(=O)c2c[nH]c3ncc(Br)nc23)CCCCC1
HCID44199730

(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-(1-methyl-cyclohexyl)-methanone

(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-(1-methylcyclohexyl)methanone

C14H16BrN3O322.2 g/molCAS 1184852-24-1
查看相关反应登录后使用结构检索

IDENTITY

结构与身份

标准 SMILES
CC1(C(=O)c2c[nH]c3ncc(Br)nc23)CCCCC1
InChIKey
CHTUASWDDGPFEG-UHFFFAOYSA-N
分子式
C14H16BrN3O
平均分子量
322.2 g/mol
单同位素质量
321.04767

COMPUTED

结构计算性质

已同步
XLogP
3.5
极性表面积
58.6 Ų
氢键供体
1
氢键受体
3
可旋转键
2
重原子
19
形式电荷
0
复杂度
357

ALIASES

名称与别名

共 6 条
(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-(1-methyl-cyclohexyl)-methanone1184852-24-1SCHEMBL651420CHTUASWDDGPFEG-UHFFFAOYSA-NDTXSID401159086(2-Bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)(1-methylcyclohexyl)methanone

REACTIONS

参与反应

28 条
全部作为反应物作为生成物作为试剂作为催化剂作为溶剂
HRID101786

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物
HRID 101786 方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

查看条件与参与物
HRID107813

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物
HRID 107813 方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

查看条件与参与物
HRID111618

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物
HRID 111618 方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

查看条件与参与物
HRID135513

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物
HRID 135513 方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

查看条件与参与物
HRID142523

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物
HRID 142523 方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

查看条件与参与物
HRID173094

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物
HRID 173094 方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

查看条件与参与物