HCID71060437

4-(4-Fluorophenyl)-2-((5-methylisoxazol-3-yl)methyl)-2,7-diazaspiro[4.5]decan-1-one

4-(4-fluorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one

C19H22FN3O2343.4 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1cc(CN2CC(c3ccc(F)cc3)C3(CCCNC3)C2=O)no1
InChIKey: OMHLJBBSDDKXPR-UHFFFAOYSA-N
分子式: C19H22FN3O2
平均分子量: 343.4 g/mol
单同位素质量: 343.16960512

COMPUTED

结构计算性质

已同步

XLogP: 1.6
极性表面积: 58.4 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 3
重原子: 25
形式电荷: 0
复杂度: 497

ALIASES

名称与别名

共 4 条

SCHEMBL14058161OMHLJBBSDDKXPR-UHFFFAOYSA-N4-(4-Fluorophenyl)-2-((5-methylisoxazol-3-yl)methyl)-2,7-diazaspiro[4.5] decan-1-one4-(4-Fluorophenyl)-2-((5-methylisoxazol-3-yl)methyl)-2,7-diazaspiro[4.5]decan-1-one

REACTIONS

参与反应

2 条

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

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

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