HCID76283957

5-Cyclopropyl-4-(2,2,2-trifluoro-ethoxy)-pyridine-2-carboxylic acid (1-hydroxymethyl-cyclohexyl)-amide

5-cyclopropyl-N-[1-(hydroxymethyl)cyclohexyl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

C18H23F3N2O3372.4 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C(NC1(CO)CCCCC1)c1cc(OCC(F)(F)F)c(C2CC2)cn1
InChIKey: HFFREESGKURFCO-UHFFFAOYSA-N
分子式: C18H23F3N2O3
平均分子量: 372.4 g/mol
单同位素质量: 372.16607709

COMPUTED

结构计算性质

已同步

XLogP: 3.4
极性表面积: 71.5 Å²
氢键供体: 2
氢键受体: 7
可旋转键: 6
重原子: 26
形式电荷: 0
复杂度: 491

ALIASES

名称与别名

共 5 条

5-Cyclopropyl-4-(2,2,2-trifluoro-ethoxy)-pyridine-2-carboxylic acid (1-hydroxymethyl-cyclohexyl)-amideCHEMBL3959920SCHEMBL15790178BDBM240340US9409866, 55

REACTIONS

参与反应

1 条

uspto-grants-2016_08 · 10.6084/m9.figshare.5104873.v1 · US09409866B2

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