uspto-grants-2016_06 · 10.6084/m9.figshare.5104873.v1 · US09365520B2
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HCID131735748
tert-butyl (R)-1-((7-fluoro-1,1-dimethyl-2,3-dihydro-1H-inden-5-yl)carbamoyl)-6-(methoxymethyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
tert-butyl (1R)-1-[(7-fluoro-1,1-dimethyl-2,3-dihydroinden-5-yl)carbamoyl]-6-(methoxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
C28H35FN2O4482.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COCc1ccc2c(c1)CCN(C(=O)OC(C)(C)C)[C@H]2C(=O)Nc1cc(F)c2c(c1)CCC2(C)C
- InChIKey
- FZYOFEDMHVVRMC-XMMPIXPASA-N
- 分子式
- C28H35FN2O4
- 平均分子量
- 482.6 g/mol
- 单同位素质量
- 482.25808576
COMPUTED
结构计算性质
- XLogP
- 5.2
- 极性表面积
- 67.9 Ų
- 氢键供体
- 1
- 氢键受体
- 5
- 可旋转键
- 6
- 重原子
- 35
- 形式电荷
- 0
- 复杂度
- 781
ALIASES
名称与别名
FZYOFEDMHVVRMC-XMMPIXPASA-Ntert-butyl (R)-1-((7-fluoro-1,1-dimethyl-2,3-dihydro-1H-inden-5-yl)carbamoyl)-6-(methoxymethyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
REACTIONS
参与反应