HCID66771816

5-[(R)-2-{Benzyl-[2-(4-nitrophenyl)ethyl]amino}-1-(tert-butyldimethylsilanyloxy)ethyl]-8-benzyloxy-1H-quinolin-2-one

5-[(1R)-2-[benzyl-[2-(4-nitrophenyl)ethyl]amino]-1-[tert-butyl(dimethyl)silyl]oxyethyl]-8-phenylmethoxy-1H-quinolin-2-one

C39H45N3O5Si663.9 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)[Si](C)(C)O[C@@H](CN(CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12
InChIKey: HWXWQTGFCSCZFN-BHVANESWSA-N
分子式: C39H45N3O5Si
平均分子量: 663.9 g/mol
单同位素质量: 663.31284808

COMPUTED

结构计算性质

已同步

极性表面积: 96.6 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 14
重原子: 48
形式电荷: 0
复杂度: 1,050

ALIASES

名称与别名

共 3 条

SCHEMBL698958HWXWQTGFCSCZFN-BHVANESWSA-N5-[(R)-2-{Benzyl-[2-(4-nitrophenyl)ethyl]amino}-1-(tert-butyldimethylsilanyloxy)ethyl]-8-benzyloxy-1H-quinolin-2-one

REACTIONS