Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看![2,2,2-trifluoro-N-(3-oxo-1-{-4-[9-phenyl-3-(2-pyrimidinyl)[1,2,4]triazolo[3,4-f]-1,6-naphthyridin-8-yl]phenyl}cyclobutyl)acetamide 分子结构式](/api/mol/58229853/svg/360x280.svg)
HCID58229853
2,2,2-trifluoro-N-(3-oxo-1-{-4-[9-phenyl-3-(2-pyrimidinyl)[1,2,4]triazolo[3,4-f]-1,6-naphthyridin-8-yl]phenyl}cyclobutyl)acetamide
2,2,2-trifluoro-N-[3-oxo-1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutyl]acetamide
C31H20F3N7O2579.5 g/mol
IDENTITY
结构与身份
- 标准SMILES
- O=C1CC(NC(=O)C(F)(F)F)(c2ccc(-c3nc4ccn5c(-c6ncccn6)nnc5c4cc3-c3ccccc3)cc2)C1
- InChIKey
- UKYNWMLIJYEWKQ-UHFFFAOYSA-N
- 分子式
- C31H20F3N7O2
- 平均分子量
- 579.5 g/mol
- 单同位素质量
- 579.16305739
COMPUTED
结构计算性质
- XLogP
- 4.2
- 极性表面积
- 115 Ų
- 氢键供体
- 1
- 氢键受体
- 10
- 可旋转键
- 5
- 重原子
- 43
- 形式电荷
- 0
- 复杂度
- 1,020
物化、安全与法规信息正在同步。
ALIASES
名称与别名
2,2,2-trifluoro-N-(3-oxo-1-{-4-[9-phenyl-3-(2-pyrimidinyl)[1,2,4]triazolo[3,4-f]-1,6-naphthyridin-8-yl]phenyl}cyclobutyl)acetamideSCHEMBL1674520
REACTIONS
参与反应
uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08207169B2
查看
uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08207169B2
查看
uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08207169B2
查看
uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08207169B2
查看
Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
查看
Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
查看
Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D
查看