HCID201172

1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-beta-carboline

1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

C18H16N2O2292.3 g/molCAS 120908-70-5

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IDENTITY

结构与身份

标准SMILES: c1ccc2c3c([nH]c2c1)C(c1ccc2c(c1)OCO2)NCC3
InChIKey: ZLAJKSCIINOCQJ-UHFFFAOYSA-N
分子式: C18H16N2O2
平均分子量: 292.3 g/mol
单同位素质量: 292.12117776

COMPUTED

结构计算性质

等待补全

XLogP: 3
极性表面积: 46.3 Å²
氢键供体: 2
氢键受体: 3
可旋转键: 1
重原子: 22
形式电荷: 0
复杂度: 418

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 11 条

120908-70-51-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-beta-carbolineCBDivE_016018SCHEMBL5740140ZLAJKSCIINOCQJ-UHFFFAOYSA-NDTXSID201352187STK505566AKOS005171804AG-690/085140251-(3,4-methylenedioxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline1-(benzo[d][1,3]dioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

REACTIONS

参与反应

36 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-2001_10 · 10.6084/m9.figshare.5104873.v1 · US06306870B1

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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

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

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