uspto-grants-2016_03 · 10.6084/m9.figshare.5104873.v1 · US09284284B2
查看![[3-((3R,6R)-5-Amino-3,6-dimethyl-6-trifluoromethyl-3,6-dihydro-2H-[1,4]oxazin-3-yl)-4-fluoro-phenyl]-(7-chloro-pyrido[3,2-d]pyrimidin-4-yl)-amine di-hydrochloride 分子结构式](/api/mol/71550948/svg/360x280.svg)
HCID71550948
[3-((3R,6R)-5-Amino-3,6-dimethyl-6-trifluoromethyl-3,6-dihydro-2H-[1,4]oxazin-3-yl)-4-fluoro-phenyl]-(7-chloro-pyrido[3,2-d]pyrimidin-4-yl)-amine di-hydrochloride
(3R,6R)-3-[5-[(7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-fluorophenyl]-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-5-amine;dihydrochloride
C20H19Cl3F4N6O541.8 g/mol
IDENTITY
结构与身份
- 标准SMILES
- C[C@@]1(c2cc(Nc3ncnc4cc(Cl)cnc34)ccc2F)CO[C@@](C)(C(F)(F)F)C(N)=N1.Cl.Cl
- InChIKey
- HRKGGPITLNDTCW-DPSPSOFVSA-N
- 分子式
- C20H19Cl3F4N6O
- 平均分子量
- 541.8 g/mol
- 单同位素质量
- 540.062205
COMPUTED
结构计算性质
- 极性表面积
- 98.3 Ų
- 氢键供体
- 4
- 氢键受体
- 10
- 可旋转键
- 3
- 重原子
- 34
- 形式电荷
- 0
- 复杂度
- 729
ALIASES
名称与别名
[3-((3R,6R)-5-Amino-3,6-dimethyl-6-trifluoromethyl-3,6-dihydro-2H-[1,4]oxazin-3-yl)-4-fluoro-phenyl]-(7-chloro-pyrido[3,2-d]pyrimidin-4-yl)-amine di-hydrochlorideSCHEMBL16009228
REACTIONS
参与反应