HCID46927111

4-chloro-N-[[2,3-difluoro-4-(1,3-oxazol-2-yl)phenyl]methyl]-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide

C23H23ClF2N2O4S497 g/mol

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IDENTITY

结构与身份

标准SMILES: O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccc(-c2ncco2)c(F)c1F)C1CCCCC1CO
InChIKey: LPRNVYYBHOFNOX-UHFFFAOYSA-N
分子式: C23H23ClF2N2O4S
平均分子量: 497 g/mol
单同位素质量: 496.1035124

COMPUTED

结构计算性质

已同步

XLogP: 4.5
极性表面积: 92 Å²
氢键供体: 1
氢键受体: 8
可旋转键: 7
重原子: 33
形式电荷: 0
复杂度: 734

ALIASES

名称与别名

共 1 条

SCHEMBL2196951

REACTIONS

参与反应

8 条

HRID 93488 反应方程式

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

HRID 303408 反应方程式

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

HRID 949410 反应方程式

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

HRID 961224 反应方程式

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

HRID 1203395 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

HRID 2122782 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

HRID 2125076 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

HRID 2153126 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D