HCID59331419

6-(5-{1-[4-(cyclopropylsulfonyl)phenyl]-2-(tetrahydro-2H-pyran-4-yl)ethyl}-1H-pyrrol-2-yl)pyridine-3-carbaldehyde

6-[5-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-1H-pyrrol-2-yl]pyridine-3-carbaldehyde

C26H28N2O4S464.6 g/mol

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: O=Cc1ccc(-c2ccc(C(CC3CCOCC3)c3ccc(S(=O)(=O)C4CC4)cc3)[nH]2)nc1
InChIKey: BJCMYISBOUVILG-UHFFFAOYSA-N
分子式: C26H28N2O4S
平均分子量: 464.6 g/mol
单同位素质量: 464.17697855

COMPUTED

结构计算性质

已同步

XLogP: 3.3
极性表面积: 97.5 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 8
重原子: 33
形式电荷: 0
复杂度: 751

ALIASES

名称与别名

共 3 条

SCHEMBL2901733BJCMYISBOUVILG-UHFFFAOYSA-N6-(5-{1-[4-(cyclopropylsulfonyl)phenyl]-2-(tetrahydro-2H-pyran-4-yl)ethyl}-1H-pyrrol-2-yl)pyridine-3-carbaldehyde

REACTIONS

参与反应

29 条

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

查看

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

查看

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

查看

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

查看

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

查看

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

查看

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

查看

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

查看