HCID69548418

4-[(8-Cyclopropyl-3 4-dihydro-4,4-dimethylspiro[2H-1-benzopyran-2,1'-cyclopropane]-6-yl)ethynyl]-2-fluoro-benzoic acid methyl ester

methyl 4-[2-(8-cyclopropyl-4,4-dimethylspiro[3H-chromene-2,1'-cyclopropane]-6-yl)ethynyl]-2-fluorobenzoate

C26H25FO3404.5 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1ccc(C#Cc2cc(C3CC3)c3c(c2)C(C)(C)CC2(CC2)O3)cc1F
InChIKey: CSIQFZXLEDQFBQ-UHFFFAOYSA-N
分子式: C26H25FO3
平均分子量: 404.5 g/mol
单同位素质量: 404.17877282

COMPUTED

结构计算性质

已同步

XLogP: 6.4
极性表面积: 35.5 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 5
重原子: 30
形式电荷: 0
复杂度: 753

ALIASES

名称与别名

共 11 条

SCHEMBL5736364CSIQFZXLEDQFBQ-UHFFFAOYSA-N4-[(8-Cyclopropyl-3 4-dihydro-4,4-dimethylspiro[2H-1-benzopyran-2,1'-cyclopropane]-6-yl)ethynyl]-2-fluoro-benzoic acid methyl ester4-[(8-Cyclopropyl-3,4-dihydro-4,4-dimethylspiro[-2H-1-benzopyran-2,1'-cyclopropane]-6-yl)ethynyl]-2-fluoro-benzoic acid methyl ester4-[(8-cyclopropyl-3,4-dihydro-4,4-dimethylspiro[2 H-1-benzopyran-2, 1'-cyclopropane]-6-yl)ethynyl]-2-fluoro-benzoic acid methyl ester4-[(8-Cyclopropyl-3,4-dihydro-4,4-dimethylspiro[2H- 1 -benzopvran-2,1'-cyclopropane]-6-yl)ethynyl]-2-fluoro-benzoic acid methyl ester4-[(8-cyclopropyl-3,4-dihydro-4,4-dimethylspiro[2H- 1 -benzopyran-2,1'-cyclopropane]-6-yl)ethynyl]-2-fluoro-benzoic acid methyl ester4-[(8-cyclopropyl-3,4-dihydro-4,4-dimethylspiro[2H-1-benzopyran-2, 1'-cyclopropane]-6-yl)ethynyl]-2-fluoro-benzoic acid methyl ester4-[(8-Cyclopropyl-3,4-dihydro-4,4-dimethylspiro[2H-1-benzopyran-2,1'-cyclopropane]-6-yl)ethynyl]-2-fluoro-benzoic acid methyl ester4-[(8-cyclopropyl-3,4-dihydro-4,4-dimethylspiro[2H-1-benzopyran-2,1'-cyclopropane]-6yl)ethynyl]-2-fluoro-benzoic acid methyl ester4-[(8-Cyclopropyl-3,4-dihydro-4,4-dimethylspiro[2H-1-benzopyran-2.1'-cyclopropane]-6-yl)ethynyl]-2-fluoro-benzoic acid methyl ester

REACTIONS