HRID151556
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看条件与参与物IDENTITY
结构与身份
- 标准 SMILES
- Cc1ccc2c(c1)C(O)=C(C(=O)Nc1ncc(C)s1)N(C)S2(=O)=O
- InChIKey
- SNJFJYPOPDHLIQ-UHFFFAOYSA-N
- 分子式
- C15H15N3O4S2
- 平均分子量
- 365.4 g/mol
- 单同位素质量
- 365.05039832
COMPUTED
结构计算性质
- XLogP
- 3.4
- 极性表面积
- 136 Ų
- 氢键供体
- 2
- 氢键受体
- 7
- 可旋转键
- 2
- 重原子
- 24
- 形式电荷
- 0
- 复杂度
- 658
ALIASES
名称与别名
CHEMBL177082SCHEMBL11489979SNJFJYPOPDHLIQ-UHFFFAOYSA-N2,6-Dimethyl-4-hydroxy-N-(5-methyl-2-thiazolyl)-2H-1,2-benzothiazine-3-carboxamide-1,1-dioxide
REACTIONS
参与反应
HRID224599
uspto-grants-1980_11
作为生成物
uspto-grants-1980_11 · 10.6084/m9.figshare.5104873.v1 · US04233299
查看条件与参与物HRID224602
uspto-grants-1980_11
作为反应物
uspto-grants-1980_11 · 10.6084/m9.figshare.5104873.v1 · US04233299
查看条件与参与物HRID1536127
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D
查看条件与参与物HRID2347865
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
作为生成物
Training data from https://doi.org/10.1039/C8SC04228D (10/10) · 10.1039/C8SC04228D
查看条件与参与物