HCID24827316

tert-butyl [5-chloro-1'-[(3-methyl-5-phenylisoxazol-4-yl)methyl]-2,5'-dioxospiro[indole-3,3'-pyrrolidin]-1(2H)-yl]acetate

tert-butyl 2-[5-chloro-1'-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)methyl]-2,2'-dioxospiro[indole-3,4'-pyrrolidine]-1-yl]acetate

C28H28ClN3O5522 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1noc(-c2ccccc2)c1CN1CC2(CC1=O)C(=O)N(CC(=O)OC(C)(C)C)c1ccc(Cl)cc12
InChIKey: MMHOGKMEXZESJW-UHFFFAOYSA-N
分子式: C28H28ClN3O5
平均分子量: 522 g/mol
单同位素质量: 521.1717487

COMPUTED

结构计算性质

等待补全

XLogP: 3.6
极性表面积: 93 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 7
重原子: 37
形式电荷: 0
复杂度: 903

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 3 条

SCHEMBL11959127MMHOGKMEXZESJW-UHFFFAOYSA-Ntert-butyl [5-chloro-1'-[(3-methyl-5-phenylisoxazol-4-yl)methyl]-2,5'-dioxospiro[indole-3,3'-pyrrolidin]-1(2H)-yl]acetate

REACTIONS

参与反应

2 条

uspto-grants-2012_08 · 10.6084/m9.figshare.5104873.v1 · US08236963B2

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

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