HCID71060659

Tert-butyl 4-(4-fluorophenyl)-2-((5-methylisoxazol-3-yl)methyl)-1-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate

tert-butyl 4-(4-fluorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate

C24H30FN3O4443.5 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1cc(CN2CC(c3ccc(F)cc3)C3(CCCN(C(=O)OC(C)(C)C)C3)C2=O)no1
InChIKey: NBMMSHQCXSUJJW-UHFFFAOYSA-N
分子式: C24H30FN3O4
平均分子量: 443.5 g/mol
单同位素质量: 443.22203461

COMPUTED

结构计算性质

已同步

XLogP: 2.9
极性表面积: 75.9 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 5
重原子: 32
形式电荷: 0
复杂度: 706

ALIASES

名称与别名

共 4 条

SCHEMBL14058671NBMMSHQCXSUJJW-UHFFFAOYSA-Ntert-butyl 4-(4-fluorophenyl)-2-((5-methylisoxazol-3-yl)methyl)-1-oxo-2,7-diazaspiro[4.5] decane-7-carboxylatetert-butyl 4-(4-fluorophenyl)-2-((5-methylisoxazol-3-yl)methyl)-1-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate

REACTIONS

参与反应

4 条

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

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

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uspto-grants-2013_10 · 10.6084/m9.figshare.5104873.v1 · US08546416B2

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uspto-grants-2013_10 · 10.6084/m9.figshare.5104873.v1 · US08546416B2

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