HCID66607689

[2'-(Benzylamino-methyl)-6-methoxy-4'-trifluoromethyl-biphenyl-3-yl]-acetic acid methyl ester

methyl 2-[3-[2-[(benzylamino)methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]acetate

C25H24F3NO3443.5 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)Cc1ccc(OC)c(-c2ccc(C(F)(F)F)cc2CNCc2ccccc2)c1
InChIKey: GLVNXYQFHPAJFC-UHFFFAOYSA-N
分子式: C25H24F3NO3
平均分子量: 443.5 g/mol
单同位素质量: 443.17082811

COMPUTED

结构计算性质

已同步

XLogP: 5.1
极性表面积: 47.6 Å²
氢键供体: 1
氢键受体: 7
可旋转键: 9
重原子: 32
形式电荷: 0
复杂度: 579

ALIASES

名称与别名

共 3 条

[2'-(Benzylamino-methyl)-6-methoxy-4'-trifluoromethyl-biphenyl-3-yl]-acetic acid methyl esterSCHEMBL153650[2'-(benzylamino-methyl)-6-methoxy-4'-trifluoromethyl-biphenyl-3-yl]-acetic methyl ester

REACTIONS

参与反应

9 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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uspto-grants-2011_11 · 10.6084/m9.figshare.5104873.v1 · US08067445B2

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uspto-grants-2011_11 · 10.6084/m9.figshare.5104873.v1 · US08067445B2

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uspto-grants-2011_11 · 10.6084/m9.figshare.5104873.v1 · US08067445B2

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

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uspto-grants-2013_01 · 10.6084/m9.figshare.5104873.v1 · US08362044B2

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uspto-grants-2013_01 · 10.6084/m9.figshare.5104873.v1 · US08362044B2

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uspto-grants-2013_01 · 10.6084/m9.figshare.5104873.v1 · US08362044B2

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