HCID68211019

7-((2S,3'S)-2-Methyl-[1,3']bipyrrolidinyl-1'-yl)-1,2,4,5-tetrahydro-benzo[d]azepine-3-carboxylic acid methyl ester

methyl 7-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate

C21H31N3O2357.5 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)N1CCc2ccc(N3CC[C@H](N4CCC[C@@H]4C)C3)cc2CC1
InChIKey: BPGCNCMADJSRTQ-JXFKEZNVSA-N
分子式: C21H31N3O2
平均分子量: 357.5 g/mol
单同位素质量: 357.24162724

COMPUTED

结构计算性质

已同步

XLogP: 3.4
极性表面积: 36 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 3
重原子: 26
形式电荷: 0
复杂度: 500

ALIASES

名称与别名

共 4 条

SCHEMBL12182000BPGCNCMADJSRTQ-JXFKEZNVSA-N7-((2S,3'S)-2-Methyl-[1,3']bipyrrolidinyl-1'-yl)-1,2,4,5-tetrahydro-benzo[d]azepine-3-carboxylic acid methyl ester7-((2S,3'S)-2-Methyl-[1,3]bipyrrolidinyl-1'-yl)-1,2,4,5-tetrahydro-benzo[d]azepine-3-carboxylic acid methyl ester

REACTIONS

参与反应

2 条

uspto-grants-2014_01 · 10.6084/m9.figshare.5104873.v1 · US08623877B2

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uspto-grants-2014_01 · 10.6084/m9.figshare.5104873.v1 · US08623877B2

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