HCID19364931

10-bromo-2-carboxymethyloxy-5-methyl-4H-pyrido[3,2,1-jk]carbazole-4-one

2-[(12-bromo-3-methyl-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5,7,9(16),10(15),11,13-heptaen-7-yl)oxy]acetic acid

C18H12BrNO4386.2 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1cn2c3ccc(Br)cc3c3cc(OCC(=O)O)cc(c1=O)c32
InChIKey: JYRDAJRBKCMXOD-UHFFFAOYSA-N
分子式: C18H12BrNO4
平均分子量: 386.2 g/mol
单同位素质量: 384.99497

COMPUTED

结构计算性质

已同步

XLogP: 3.7
极性表面积: 68.5 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 3
重原子: 24
形式电荷: 0
复杂度: 592

ALIASES

名称与别名

共 4 条

SCHEMBL6975925JYRDAJRBKCMXOD-UHFFFAOYSA-N10-bromo-2-carboxymethyloxy-5-methyl-4H-pyrido [3,2,1-jk]carbazole-4-one10-bromo-2-carboxymethyloxy-5-methyl-4H-pyrido[3,2,1-jk]carbazole-4-one

REACTIONS

参与反应

3 条

uspto-grants-2000_01 · 10.6084/m9.figshare.5104873.v1 · US06018046

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uspto-grants-2001_03 · 10.6084/m9.figshare.5104873.v1 · US06197768B1

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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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