HCID21837067

Ethyl 10,11-Dihydro-5H-pyrrolo[2,1-c][1,4]-benzodiazepine-7-carboxylate

ethyl 6,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-2-carboxylate

C15H16N2O2256.3 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)c1ccc2c(c1)Cn1cccc1CN2
InChIKey: XDCATKJAXTXPFG-UHFFFAOYSA-N
分子式: C15H16N2O2
平均分子量: 256.3 g/mol
单同位素质量: 256.12117776

COMPUTED

结构计算性质

已同步

XLogP: 2.1
极性表面积: 43.3 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 3
重原子: 19
形式电荷: 0
复杂度: 334

ALIASES

名称与别名

共 4 条

SCHEMBL5738667XDCATKJAXTXPFG-UHFFFAOYSA-NEthyl 10,11-Dihydro-5H-pyrrolo[2,1-c][1,4]-benzodiazepine-7-carboxylateEthyl 10,11-Dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-7-carboxylate

REACTIONS

相关反应

31 条

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05733905

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uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05733905

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uspto-grants-1997_04 · 10.6084/m9.figshare.5104873.v1 · US05624923

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

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uspto-grants-1996_05 · 10.6084/m9.figshare.5104873.v1 · US05516774

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uspto-grants-1996_05 · 10.6084/m9.figshare.5104873.v1 · US05516774

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uspto-grants-1996_05 · 10.6084/m9.figshare.5104873.v1 · US05521173

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

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