HCID66835106

8-((S)-2,2-Dimethyl-[1,3]dioxolan-4-yl methoxy)-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3,4-dicarbonitrile

8-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-6,6-dimethyl-11-oxo-5H-benzo[h]carbazole-3,4-dicarbonitrile

C26H23N3O4441.5 g/mol

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IDENTITY

结构与身份

标准SMILES: CC1(C)OC[C@H](COc2ccc3c(c2)C(C)(C)c2[nH]c4c(C#N)c(C#N)ccc4c2C3=O)O1
InChIKey: BXZSKMYKUYZGAC-INIZCTEOSA-N
分子式: C26H23N3O4
平均分子量: 441.5 g/mol
单同位素质量: 441.16885622

COMPUTED

结构计算性质

已同步

XLogP: 4.1
极性表面积: 108 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 3
重原子: 33
形式电荷: 0
复杂度: 898

ALIASES

名称与别名

共 4 条

SCHEMBL898425BXZSKMYKUYZGAC-INIZCTEOSA-N8-((S)-2,2-Dimethyl-[1,3]dioxolan-4-yl methoxy)-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3,4-dicarbonitrile8-((S)-2,2-Dimethyl-[1,3]dioxolan-4-ylmethoxy)-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3,4-dicarbonitrile

REACTIONS

参与反应

2 条

uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09440922B2

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uspto-grants-2015_09 · 10.6084/m9.figshare.5104873.v1 · US09126931B2

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