uspto-grants-2011_12 · 10.6084/m9.figshare.5104873.v1 · US08076359B2
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HCID86639857
tert-Butyl (3R,4S)-3-({cyclopropyl[3-(2-hydroxy-2-methylpropoxy)-5-(3-methoxypropyl)benzyl]amino}carbonyl)-4-{4-[2-(2,6-dichloro-4-methylphenoxy)-ethoxy]phenyl}piperidine-1-carboxylate
tert-butyl (3R,4S)-3-[cyclopropyl-[[3-(2-hydroxy-2-methylpropoxy)-5-(3-methoxypropyl)phenyl]methyl]carbamoyl]-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]piperidine-1-carboxylate
C44H58Cl2N2O8813.8 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COCCCc1cc(CN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OCC(C)(C)O)c1
- InChIKey
- JFNKRDNWDCOADO-AARKOHAPSA-N
- 分子式
- C44H58Cl2N2O8
- 平均分子量
- 813.8 g/mol
- 单同位素质量
- 812.3570222
COMPUTED
结构计算性质
- XLogP
- 8.1
- 极性表面积
- 107 Ų
- 氢键供体
- 1
- 氢键受体
- 8
- 可旋转键
- 19
- 重原子
- 56
- 形式电荷
- 0
- 复杂度
- 1,210
ALIASES
名称与别名
JFNKRDNWDCOADO-AARKOHAPSA-Ntert-butyl (3R,4S)-3-({cyclopropyl[3-(2-hydroxy-2-methyl-propoxy)-5-(3-methoxypropyl)benzyl]amino}carbonyl)-4-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}piperidine-1-carboxylatetert-Butyl (3R,4S)-3-({cyclopropyl[3-(2-hydroxy-2-methylpropoxy)-5-(3-methoxypropyl)benzyl]amino}carbonyl)-4-{4-[2-(2,6-dichloro-4-methylphenoxy)-ethoxy]phenyl}piperidine-1-carboxylate
REACTIONS
参与反应
uspto-grants-2011_12 · 10.6084/m9.figshare.5104873.v1 · US08076359B2
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