HCID59321527

Methyl 6-[4-({[5-cyclobutyl-3-(3,5-dichloro-4-pyridinyl)-4-isoxazolyl]methyl}oxy)phenyl]-2-quinolinecarboxylate

methyl 6-[4-[[5-cyclobutyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]phenyl]quinoline-2-carboxylate

C30H23Cl2N3O4560.4 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1ccc2cc(-c3ccc(OCc4c(-c5c(Cl)cncc5Cl)noc4C4CCC4)cc3)ccc2n1
InChIKey: AEXLNEKNUVBKIK-UHFFFAOYSA-N
分子式: C30H23Cl2N3O4
平均分子量: 560.4 g/mol
单同位素质量: 559.1065616

COMPUTED

结构计算性质

已同步

XLogP: 6.9
极性表面积: 87.3 Å²
氢键供体: 0
氢键受体: 7
可旋转键: 8
重原子: 39
形式电荷: 0
复杂度: 816

ALIASES

名称与别名

共 3 条

SCHEMBL2006819AEXLNEKNUVBKIK-UHFFFAOYSA-Nmethyl 6-[4-({[5-cyclobutyl-3-(3,5-dichloro-4-pyridinyl)-4-isoxazolyl]methyl}oxy)phenyl]-2-quinolinecarboxylate

REACTIONS

参与反应

4 条

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

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

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uspto-grants-2011_06 · 10.6084/m9.figshare.5104873.v1 · US07960552B2

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uspto-grants-2011_06 · 10.6084/m9.figshare.5104873.v1 · US07960552B2

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