uspto-grants-2011_12 · 10.6084/m9.figshare.5104873.v1 · US08076359B2
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HCID24953170
(3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)phenyl)-N-(3-(2-hydroxy-2-methylpropoxy)-5-(3-methoxypropyl)benzyl)piperidine-3-carboxamide
(3R,4S)-N-cyclopropyl-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-N-[[3-(2-hydroxy-2-methylpropoxy)-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide
C39H50Cl2N2O6713.7 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OCC(C)(C)O)c1
- InChIKey
- VHSIEYYFBUUDJV-NOCHOARKSA-N
- 分子式
- C39H50Cl2N2O6
- 平均分子量
- 713.7 g/mol
- 单同位素质量
- 712.3045927
COMPUTED
结构计算性质
- XLogP
- 6.8
- 极性表面积
- 89.5 Ų
- 氢键供体
- 2
- 氢键受体
- 7
- 可旋转键
- 17
- 重原子
- 49
- 形式电荷
- 0
- 复杂度
- 983
ALIASES
名称与别名
CHEMBL1761523SCHEMBL3132633VHSIEYYFBUUDJV-NOCHOARKSA-NBDBM50340411(3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)phenyl)-N-(3-(2-hydroxy-2-methylpropoxy)-5-(3-methoxypropyl)benzyl)piperidine-3-carboxamide(3R,4S)-N-Cyclopropyl-4-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]-phenyl}-N-[3-(2-hydroxy-2-methylpropoxy)-5-(3-methoxypropyl)benzyl]piperidine-3-carboxamide
REACTIONS
参与反应