uspto-grants-2016_03 · 10.6084/m9.figshare.5104873.v1 · US09296734B2
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HCID86732134
8-((5-((4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl)-6-fluoropyridin-3-yl)amino)-5-fluoro-1,7-naphthyridine-3-carbonitrile
8-[[5-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-6-fluoro-3-pyridinyl]amino]-5-fluoro-1,7-naphthyridine-3-carbonitrile
C20H14F5N7O463.4 g/mol
IDENTITY
结构与身份
- 标准SMILES
- C[C@@]1(c2cc(Nc3ncc(F)c4cc(C#N)cnc34)cnc2F)C[C@@H](C(F)(F)F)OC(N)=N1
- InChIKey
- ONSSCAPLXLEXND-LIRRHRJNSA-N
- 分子式
- C20H14F5N7O
- 平均分子量
- 463.4 g/mol
- 单同位素质量
- 463.11799891
COMPUTED
结构计算性质
- XLogP
- 2.9
- 极性表面积
- 122 Ų
- 氢键供体
- 2
- 氢键受体
- 12
- 可旋转键
- 3
- 重原子
- 33
- 形式电荷
- 0
- 复杂度
- 803
ALIASES
名称与别名
8-((5-((4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl)-6-fluoropyridin-3-yl)amino)-5-fluoro-1,7-naphthyridine-3-carbonitrileCHEMBL3958521SCHEMBL15990864BDBM214877US9296734, 78
REACTIONS
参与反应