HCID69655246

5-Chloro-2-{2-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethylamino}-nicotinic Acid Methyl Ester

methyl 5-chloro-2-[[2-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethyl]amino]pyridine-3-carboxylate

C22H26ClFN4O3448.9 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1cc(Cl)cnc1NCC(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C
InChIKey: QPSVXZGFNHQACA-LSDHHAIUSA-N
分子式: C22H26ClFN4O3
平均分子量: 448.9 g/mol
单同位素质量: 448.1677466

COMPUTED

结构计算性质

已同步

XLogP: 4
极性表面积: 74.8 Å²
氢键供体: 1
氢键受体: 7
可旋转键: 7
重原子: 31
形式电荷: 0
复杂度: 620

ALIASES

名称与别名

共 3 条

SCHEMBL6075760QPSVXZGFNHQACA-LSDHHAIUSA-N5-Chloro-2-{2-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethylamino}-nicotinic Acid Methyl Ester

REACTIONS

参与反应

2 条

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07098212B2

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uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07098212B2

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