uspto-grants-2016_05 · 10.6084/m9.figshare.5104873.v1 · US09328106B2
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HCID73438527
N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(3,5-dimethylisoxazol-4-yl)thiazole-4-carboxamide
N-[5-[(2S,5R,6S)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazole-4-carboxamide
C19H23FN6O3S434.5 g/mol
IDENTITY
结构与身份
- 标准SMILES
- Cc1noc(C)c1-c1nc(C(=O)Nc2cnn(C)c2[C@@H]2CC[C@@H](N)[C@H](F)CO2)cs1
- InChIKey
- MRCBRJLQWNLDET-JMSVASOKSA-N
- 分子式
- C19H23FN6O3S
- 平均分子量
- 434.5 g/mol
- 单同位素质量
- 434.15363795
COMPUTED
结构计算性质
- XLogP
- 1.1
- 极性表面积
- 149 Ų
- 氢键供体
- 2
- 氢键受体
- 9
- 可旋转键
- 4
- 重原子
- 30
- 形式电荷
- 0
- 复杂度
- 621
ALIASES
名称与别名
CHEMBL4115623SCHEMBL15608807MRCBRJLQWNLDET-JMSVASOKSA-NBDBM227283US9328106, 234N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(3,5-dimethylisoxazol-4-yl)thiazole-4-carboxamide
REACTIONS
参与反应