HCID59544855

cis-4'-[(4-Tert-butylcyclohexylamino)methyl]-2'-fluorobiphenyl-3-carboxylic acid amide

3-[4-[[(4-tert-butylcyclohexyl)amino]methyl]-2-fluorophenyl]benzamide

C24H31FN2O382.5 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)C1CCC(NCc2ccc(-c3cccc(C(N)=O)c3)c(F)c2)CC1
InChIKey: BMCDNHLIJKTKFD-UHFFFAOYSA-N
分子式: C24H31FN2O
平均分子量: 382.5 g/mol
单同位素质量: 382.24204178

COMPUTED

结构计算性质

等待补全

XLogP: 5.1
极性表面积: 55.1 Å²
氢键供体: 2
氢键受体: 3
可旋转键: 6
重原子: 28
形式电荷: 0
复杂度: 509

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 7 条

SCHEMBL1347596SCHEMBL1347598SCHEMBL1347855BMCDNHLIJKTKFD-BGYRXZFFSA-NBMCDNHLIJKTKFD-MXVIHJGJSA-Ncis-4'-[(4-tert-butylcyclohexylamino)methyl]-2'-fluorobiphenyl-3-carboxylic acid amidetrans-4'-[(4-tert-Butylcyclohexylamino)methyl]-2'-fluorobiphenyl-3-carboxylic acid amide

REACTIONS

参与反应

1 条

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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