HCID69635678

3-({1-[Bis(4-chlorophenyl)methyl]azetidin-3-ylidene}methanesulfonylmethyl)benzoic acid

3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-ylidene]methylsulfonylmethyl]benzoic acid

C25H21Cl2NO4S502.4 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=C(O)c1cccc(CS(=O)(=O)C=C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)c1
InChIKey: ZUQQILFPHCUUQO-UHFFFAOYSA-N
分子式: C25H21Cl2NO4S
平均分子量: 502.4 g/mol
单同位素质量: 501.0568347

COMPUTED

结构计算性质

已同步

XLogP: 2.2
极性表面积: 83.1 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 7
重原子: 33
形式电荷: 0
复杂度: 781

ALIASES

名称与别名

共 4 条

SCHEMBL6011655ZUQQILFPHCUUQO-UHFFFAOYSA-N3-({1-[bis(4-chlorophenyl)methyl]-azetidin-3-ylidene}methanesulfonylmethyl)benzoic acid3-({1-[bis(4-chlorophenyl)methyl]azetidin-3-ylidene}methanesulfonylmethyl)benzoic acid

REACTIONS