HCID22663435

Methyl 3-(3-methyl-1-{3-(phenyl)propyl}-1H-indol-6-yl)-3-nitromethyl-propionate

methyl 3-[3-methyl-1-(3-phenylpropyl)indol-6-yl]-4-nitrobutanoate

C23H26N2O4394.5 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)CC(C[N+](=O)[O-])c1ccc2c(C)cn(CCCc3ccccc3)c2c1
InChIKey: DRRZWKDTQWVDEP-UHFFFAOYSA-N
分子式: C23H26N2O4
平均分子量: 394.5 g/mol
单同位素质量: 394.18925731

COMPUTED

结构计算性质

已同步

XLogP: 4.3
极性表面积: 77.1 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 9
重原子: 29
形式电荷: 0
复杂度: 543

ALIASES

名称与别名

共 4 条

SCHEMBL1552989DRRZWKDTQWVDEP-UHFFFAOYSA-NMethyl 3-(3-methyl-1-{3-(phenyl)propyl}-1 H-indol-6-yl)-3-nitromethyl-propionateMethyl 3-(3-methyl-1-{3-(phenyl)propyl}-1H-indol-6-yl)-3-nitromethyl-propionate

REACTIONS

参与反应

7 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID106644

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

作为产物

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

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HRID187555

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

作为反应物

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

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HRID380405

uspto-grants-2001_10

作为反应物

uspto-grants-2001_10 · 10.6084/m9.figshare.5104873.v1 · US06303600B1

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HRID380428

uspto-grants-2001_10

作为产物

uspto-grants-2001_10 · 10.6084/m9.figshare.5104873.v1 · US06303600B1

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HRID392194

uspto-grants-2004_10

作为反应物

uspto-grants-2004_10 · 10.6084/m9.figshare.5104873.v1 · US06800645B1

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HRID392216

uspto-grants-2004_10

作为产物

uspto-grants-2004_10 · 10.6084/m9.figshare.5104873.v1 · US06800645B1

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HRID2054481

uspto-grants-2008_02

作为反应物

uspto-grants-2008_02 · 10.6084/m9.figshare.5104873.v1 · US07329675B2

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