HCID57670100

2-{1-[(4s,5r)-2-(6-Tert-butyl-4-ethoxy-pyridin-3-yl)-4,5-bis-(4-chloro-phenyl)-4,5-dimethyl-4,5-dihydro-imidazole-1-carbonyl]-piperidin-4-yl}-n,n-bis-(2-isopropoxy-ethyl)-acetamide

2-[1-[(4S,5R)-2-(6-tert-butyl-4-ethoxy-3-pyridinyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperidin-4-yl]-N,N-bis(2-propan-2-yloxyethyl)acetamide

C46H63Cl2N5O5836.9 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOc1cc(C(C)(C)C)ncc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCC(CC(=O)N(CCOC(C)C)CCOC(C)C)CC1
InChIKey: UPNKPIHUAYZCES-CRCOQUFZSA-N
分子式: C46H63Cl2N5O5
平均分子量: 836.9 g/mol
单同位素质量: 835.4206255

COMPUTED

结构计算性质

已同步

XLogP: 8.2
极性表面积: 96.8 Å²
氢键供体: 0
氢键受体: 7
可旋转键: 16
重原子: 58
形式电荷: 0
复杂度: 1,340

ALIASES

名称与别名

共 3 条

SCHEMBL4168248UPNKPIHUAYZCES-CRCOQUFZSA-N2-{1-[(4s,5r)-2-(6-tert-butyl-4-ethoxy-pyridin-3-yl)-4,5-bis-(4-chloro-phenyl)-4,5-dimethyl-4,5-dihydro-imidazole-1-carbonyl]-piperidin-4-yl}-n,n-bis-(2-isopropoxy-ethyl)-acetamide

REACTIONS

参与反应

1 条

uspto-grants-2013_08 · 10.6084/m9.figshare.5104873.v1 · US08513239B2

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