HCID22174751

2-({2-Oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)-1H-isoindole-1,3(2H)-dione

2-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione

C22H19N3O6421.4 g/molCAS 1265617-06-8

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IDENTITY

结构与身份

标准SMILES: O=C1c2ccccc2C(=O)N1CC1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1
InChIKey: KUQNYAUTIWQAKY-UHFFFAOYSA-N
分子式: C22H19N3O6
平均分子量: 421.4 g/mol
单同位素质量: 421.12738533

COMPUTED

结构计算性质

已同步

XLogP: 1.2
极性表面积: 96.5 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 4
重原子: 31
形式电荷: 0
复杂度: 740

ALIASES

名称与别名

共 21 条

1265617-06-82-((2-Oxo-3-(4-(3-oxomorpholino)phenyl)oxazolidin-5-yl)methyl)isoindoline-1,3-dioneRivaroxaban Impurity 113SCHEMBL460444SCHEMBL30146333DTXSID706232404-[4-[(5S)-5-Phthalimidomethyl-2-oxo-3-oxazolidinyl]phenyl]-3-morpholinoneKUQNYAUTIWQAKY-UHFFFAOYSA-NAKOS032947492SB198012-({2-Oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)-1H-isoindole-1,3(2H)-dioneIO183175Rivaroxaban Impurity 104Enantiomer MixtureNS00001289(S)-2-((2-Oxo-3-(4-(3-oxomorpholino)phenyl)-oxazolidin-5-yl)methyl)isoindoline-1,3-dione2-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]oxazolidin-5-yl]methyl]isoindoline-1,3-dione2-{2-Oxo-3-[4-(3-oxo-morpholin-4-yl)-phenyl]-oxazolidin-5-ylmethyl}-isoindole-1,3-dione(S)-2-((2-Oxo-3-(4-(3-oxomorpholino)phenyl)oxazolidin-5-yl)methyl)isoindoline-1,3-dione;2-[[(5S)-2-Oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-1H-isoindole-1,3(2H)-dione2-({2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)-2,3-dihydro-1H-isoindole-1,3-dione2-[[2-Oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-1H-isoindole-1,3(2H)-dione

REACTIONS

参与反应

3 条

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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