HCID66899821

2-[4-(2-chloro-3-methoxy-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-4-fluoro-4-methyl-pentanoic acid [1-((R)-2,2-dimethyl-[1,3]dioxolan-4-yl-methyl)-1H-pyrazol-3-yl]-amide

2-[3-(2-chloro-3-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-3-yl]-4-fluoro-4-methylpentanamide

C26H32ClFN4O6551 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1cccc(OC2=CC(=O)N(C(CC(C)(C)F)C(=O)Nc3ccn(C[C@@H]4COC(C)(C)O4)n3)C2)c1Cl
InChIKey: FMJCKCSXMHEDLW-QNSVNVJESA-N
分子式: C26H32ClFN4O6
平均分子量: 551 g/mol
单同位素质量: 550.1994406

COMPUTED

结构计算性质

已同步

XLogP: 2.8
极性表面积: 104 Å²
氢键供体: 1
氢键受体: 8
可旋转键: 10
重原子: 38
形式电荷: 0
复杂度: 905

ALIASES

名称与别名

共 3 条

SCHEMBL1081591FMJCKCSXMHEDLW-QNSVNVJESA-N2-[4-(2-chloro-3-methoxy-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-4-fluoro-4-methyl-pentanoic acid [1-((R)-2,2-dimethyl-[1,3]dioxolan-4-yl-methyl)-1H-pyrazol-3-yl]-amide

REACTIONS

参与反应

1 条

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07741327B2

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