HCID57933470

N-(2-{2-[(5-Cyclohexylmethyl-4-hydroxy-2-oxo-2,5-dihydro-furan-3-yl)-phenyl-methyl]-6-fluoro-1H-indol-3-yl}-ethyl)-acetamide

N-[2-[2-[[2-(cyclohexylmethyl)-3-hydroxy-5-oxo-2H-furan-4-yl]-phenylmethyl]-6-fluoro-1H-indol-3-yl]ethyl]acetamide

C30H33FN2O4504.6 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(=O)NCCc1c(C(C2=C(O)C(CC3CCCCC3)OC2=O)c2ccccc2)[nH]c2cc(F)ccc12
InChIKey: PCSLLUYVXRJDDA-UHFFFAOYSA-N
分子式: C30H33FN2O4
平均分子量: 504.6 g/mol
单同位素质量: 504.2424357

COMPUTED

结构计算性质

已同步

XLogP: 5.9
极性表面积: 91.4 Å²
氢键供体: 3
氢键受体: 5
可旋转键: 8
重原子: 37
形式电荷: 0
复杂度: 851

ALIASES

名称与别名

共 3 条

SCHEMBL4497846PCSLLUYVXRJDDA-UHFFFAOYSA-NN-(2-{2-[(5-Cyclohexylmethyl-4-hydroxy-2-oxo-2,5-dihydro-furan-3-yl)-phenyl-methyl]-6-fluoro-1H-indol-3-yl}-ethyl)-acetamide

REACTIONS

参与反应

1 条

uspto-grants-2009_11 · 10.6084/m9.figshare.5104873.v1 · US07612099B2

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