HCID57424271

[2-Fluoro-4-(8,8-dimethyl-5-oxo-5,6,7,8-tetrahydronaphthalene-2-ylethynyl)phenyl]acetic acid methyl ester

methyl 2-[4-[2-(8,8-dimethyl-5-oxo-6,7-dihydronaphthalen-2-yl)ethynyl]-2-fluorophenyl]acetate

C23H21FO3364.4 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)Cc1ccc(C#Cc2ccc3c(c2)C(C)(C)CCC3=O)cc1F
InChIKey: WMERCRLXLNZQRL-UHFFFAOYSA-N
分子式: C23H21FO3
平均分子量: 364.4 g/mol
单同位素质量: 364.14747269

COMPUTED

结构计算性质

等待补全

XLogP: 4.8
极性表面积: 43.4 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 5
重原子: 27
形式电荷: 0
复杂度: 640

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 7 条

SCHEMBL4518425WMERCRLXLNZQRL-UHFFFAOYSA-N[2-fluoro-4-(8,8-dimethyl-5-oxo -5,6,7,8-tetrahydro-naphthalene-2-ylethynyl)phenyl]acetic acid methyl ester[2-fluoro-4-(8,8-dimethyl-5-oxo-5,6,7,8-tetrahydro-naphthalene-2-ylethynyl)phenyl ]acetic acid methyl ester[2-fluoro-4-(8,8-dimethyl-5-oxo-5,6,7,8-tetrahydro-naphthalene-2-ylethynyl)phenyl]acetic acid methyl ester[2-fluoro-4-(8,8-dimethyl-5-oxo-5,6,7,8-tetrahydronaphthalene-2-ylethynyl)phenyl]acetic acid methyl ester[4-(8,8-dimethyl-5-oxo-5,6,7,8-tetrahydro-naphthalen-2-ylethynyl)-2-fluoro-phenyl]-acetic acid methyl ester

REACTIONS