HCID59797435

2-(4-Hydroxy-thianthren-1-yl)-6-morpholin-4-yl-pyran-4-one

2-(4-hydroxythianthren-1-yl)-6-morpholin-4-ylpyran-4-one

C21H17NO4S2411.5 g/molCAS 845932-65-2

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IDENTITY

结构与身份

标准SMILES: O=c1cc(-c2ccc(O)c3c2Sc2ccccc2S3)oc(N2CCOCC2)c1
InChIKey: ONIYHKZZHWZRGB-UHFFFAOYSA-N
分子式: C21H17NO4S2
平均分子量: 411.5 g/mol
单同位素质量: 411.05990037

COMPUTED

结构计算性质

已同步

XLogP: 3.6
极性表面积: 110 Å²
氢键供体: 1
氢键受体: 7
可旋转键: 2
重原子: 28
形式电荷: 0
复杂度: 675

ALIASES

名称与别名

共 8 条

845932-65-2SCHEMBL3165663ONIYHKZZHWZRGB-UHFFFAOYSA-N2-(4-Hydroxy-thianthren-1-yl)-6-morpholin-4-yl-pyran-4-oneDTXSID5011815212-(4-Hydroxy-thianthren-1-yl) -6-morpholin-4-yl-pyran-4-one2-(4-Hydroxy-1-thianthrenyl)-6-(4-morpholinyl)-4H-pyran-4-one2-(4-Hydroxythianthren-1-yl)-6-(morpholin-4-yl)-4H-pyran-4-one

REACTIONS

相关反应

3 条

uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07429660B2

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uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07429660B2

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

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