uspto-grants-2010_04 · 10.6084/m9.figshare.5104873.v1 · US07705005B2
查看![ethyl 2-{4-[{[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-1(4H)-quinazolinyl]acetyl}({4'-[(trifluoromethyl)oxy]-4-biphenylyl} methyl)amino]-1-piperidinyl}-2-methylpropanoate 分子结构式](/api/mol/25007953/svg/360x280.svg)
HCID25007953
ethyl 2-{4-[{[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-1(4H)-quinazolinyl]acetyl}({4'-[(trifluoromethyl)oxy]-4-biphenylyl} methyl)amino]-1-piperidinyl}-2-methylpropanoate
ethyl 2-[4-[[2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxoquinazolin-1-yl]acetyl]-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]amino]piperidin-1-yl]-2-methylpropanoate
C43H43F5N4O5790.8 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CCOC(=O)C(C)(C)N1CCC(N(Cc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)nc(=O)c3ccccc32)CC1
- InChIKey
- RUZROHIZIPHZGX-UHFFFAOYSA-N
- 分子式
- C43H43F5N4O5
- 平均分子量
- 790.8 g/mol
- 单同位素质量
- 790.3153613
COMPUTED
结构计算性质
- XLogP
- 8.3
- 极性表面积
- 91.8 Ų
- 氢键供体
- 0
- 氢键受体
- 11
- 可旋转键
- 14
- 重原子
- 57
- 形式电荷
- 0
- 复杂度
- 1,390
物化、安全与法规信息正在同步。
ALIASES
名称与别名
ethyl 2-{4-[{[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-1(4H)-quinazolinyl]acetyl}({4'-[(trifluoromethyl)oxy]-4-biphenylyl} methyl)amino]-1-piperidinyl}-2-methylpropanoateSCHEMBL2802520ethyl 2-{4-[{[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-1 (4H)-quinazolinyl]acetyl}({4'-[(trifluoromethyl)oxy]-4-biphenylyl}methyl)amino]-1-piperidinyl}-2-methylpropanoateethyl 2-{4-[{[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-1(4H)-quinazolinyl]acetyl}({4'-[(trifluoromethyl)oxy]-4-biphenylyl}methyl)amino]-1-piperidinyl}-2-methylpropanoate
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
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