uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08835411B2
查看![N-[2-[[[(4-Fluoro-3-methylphenyl)methyl]amino]carbonyl]-6,7,8,9-tetrahydro-3-hydroxy-7-(methoxymethyl)-4-oxo-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl]-N,N',N'-trimethyl-ethanediamide 分子结构式](/api/mol/67960341/svg/360x280.svg)
HCID67960341
N-[2-[[[(4-Fluoro-3-methylphenyl)methyl]amino]carbonyl]-6,7,8,9-tetrahydro-3-hydroxy-7-(methoxymethyl)-4-oxo-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl]-N,N',N'-trimethyl-ethanediamide
N'-[4-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-5-hydroxy-9-(methoxymethyl)-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-dien-1-yl]-N,N,N'-trimethyloxamide
C27H34FN5O6543.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COCC12CCC(N(C)C(=O)C(=O)N(C)C)(CC1)c1nc(C(=O)NCc3ccc(F)c(C)c3)c(O)c(=O)n1C2
- InChIKey
- BVFIIUOCMCGEII-UHFFFAOYSA-N
- 分子式
- C27H34FN5O6
- 平均分子量
- 543.6 g/mol
- 单同位素质量
- 543.24931198
COMPUTED
结构计算性质
- XLogP
- 1.5
- 极性表面积
- 132 Ų
- 氢键供体
- 2
- 氢键受体
- 8
- 可旋转键
- 6
- 重原子
- 39
- 形式电荷
- 0
- 复杂度
- 1,100
物化、安全与法规信息正在同步。
ALIASES
名称与别名
SCHEMBL9905163BVFIIUOCMCGEII-UHFFFAOYSA-NN'-[(4-fluoro-3-methyl-phenyl)methylcarbamoyl-hydroxy-(methoxymethyl)-oxo-[?]yl]-N,N,N'-trimethyl-oxamideN-[2-[[[(4-Fluoro-3-methylphenyl)methyl]amino]carbonyl]-6,7,8,9-tetrahydro-3-hydroxy-7-(methoxymethyl)-4-oxo-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl]-N,N',N'-trimethyl-ethanediamide
REACTIONS
相关反应