uspto-grants-2002_03 · 10.6084/m9.figshare.5104873.v1 · US06353025B1
查看![2-[[2,6-dichloro-4-[2-[[(1S, 2R)-2-hydroxy-2-(4-hydroxyphenyl)-1-methylethyl]amino]ethyl]phenyl]amino]-N-(2-methoxyethyl)-acetamide 分子结构式](/api/mol/69989395/svg/360x280.svg)
HCID69989395
2-[[2,6-dichloro-4-[2-[[(1S, 2R)-2-hydroxy-2-(4-hydroxyphenyl)-1-methylethyl]amino]ethyl]phenyl]amino]-N-(2-methoxyethyl)-acetamide
2-[2,6-dichloro-4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]anilino]-N-(2-methoxyethyl)acetamide
C22H29Cl2N3O4470.4 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COCCNC(=O)CNc1c(Cl)cc(CCN[C@@H](C)[C@H](O)c2ccc(O)cc2)cc1Cl
- InChIKey
- FIYDYNKGDUQLHE-FPTDNZKUSA-N
- 分子式
- C22H29Cl2N3O4
- 平均分子量
- 470.4 g/mol
- 单同位素质量
- 469.1535118
COMPUTED
结构计算性质
- XLogP
- 3.1
- 极性表面积
- 103 Ų
- 氢键供体
- 5
- 氢键受体
- 6
- 可旋转键
- 12
- 重原子
- 31
- 形式电荷
- 0
- 复杂度
- 511
ALIASES
名称与别名
SCHEMBL7102019FIYDYNKGDUQLHE-FPTDNZKUSA-N2-[[2,6-dichloro-4-[2-[[(1S, 2R)-2-hydroxy-2-(4-hydroxyphenyl)-1-methylethyl]amino]ethyl]phenyl]amino]-N-(2-methoxyethyl)-acetamide
REACTIONS
参与反应