uspto-grants-2015_03 · 10.6084/m9.figshare.5104873.v1 · US08969350B2
查看![methyl 3-[3-[1-[2-[2-[(benzyloxycarbonyl)methylamino]ethoxy]phenyl]cyclopropylamino]-5-bromo-2-oxo-1(2H)-pyrazinyl]-5-fluoro-4-methylbenzoate 分子结构式](/api/mol/66713357/svg/360x280.svg)
HCID66713357
methyl 3-[3-[1-[2-[2-[(benzyloxycarbonyl)methylamino]ethoxy]phenyl]cyclopropylamino]-5-bromo-2-oxo-1(2H)-pyrazinyl]-5-fluoro-4-methylbenzoate
methyl 3-[5-bromo-2-oxo-3-[[1-[2-[2-[(2-oxo-2-phenylmethoxyethyl)amino]ethoxy]phenyl]cyclopropyl]amino]pyrazin-1-yl]-5-fluoro-4-methylbenzoate
C33H32BrFN4O6679.5 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COC(=O)c1cc(F)c(C)c(-n2cc(Br)nc(NC3(c4ccccc4OCCNCC(=O)OCc4ccccc4)CC3)c2=O)c1
- InChIKey
- HDMUFEMTDCFFSA-UHFFFAOYSA-N
- 分子式
- C33H32BrFN4O6
- 平均分子量
- 679.5 g/mol
- 单同位素质量
- 678.14893
COMPUTED
结构计算性质
- XLogP
- 4.9
- 极性表面积
- 119 Ų
- 氢键供体
- 2
- 氢键受体
- 9
- 可旋转键
- 15
- 重原子
- 45
- 形式电荷
- 0
- 复杂度
- 1,130
ALIASES
名称与别名
SCHEMBL524149HDMUFEMTDCFFSA-UHFFFAOYSA-Nmethyl 3-[3-[1-[2-[2-[(benzyloxycarbonyl)methylamino]ethoxy]phenyl]cyclopropylamino]-5-bromo-2-oxo-1(2H)-pyrazinyl]-5-fluoro-4-methylbenzoate
REACTIONS
