HCID72437152

Methyl 3-[(5-chlorothiophene-2-carbonyl)amino]-4-hydroxycyclopentane-1-carboxylate

C12H14ClNO4S303.76 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: COC(=O)C1CC(O)C(NC(=O)c2ccc(Cl)s2)C1
InChIKey: PIPHECFLLFLPEE-UHFFFAOYSA-N
分子式: C12H14ClNO4S
平均分子量: 303.76 g/mol
单同位素质量: 303.0332068

COMPUTED

结构计算性质

已同步

XLogP: 2
极性表面积: 104 Å²
氢键供体: 2
氢键受体: 5
可旋转键: 4
重原子: 19
形式电荷: 0
复杂度: 368

REACTIONS

参与反应

10 条

HRID 158580 反应方程式

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

HRID 294532 反应方程式

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

HRID 665172 反应方程式

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

HRID 816982 反应方程式

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

HRID 823829 反应方程式

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

HRID 945808 反应方程式

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

HRID 1115704 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

HRID 1140242 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D