uspto-grants-2004_04 · 10.6084/m9.figshare.5104873.v1 · US06720345B1
查看![5-(4-carboxybenzylidene)-3-[(1-{3,4-dimethylphenyl}-4-hydroxy-3-methyl-1H-pyrazol-4-ylmethylene)amino]-2-thioxothiazolidin-4-one 分子结构式](/api/mol/86759417/svg/360x280.svg)
HCID86759417
5-(4-carboxybenzylidene)-3-[(1-{3,4-dimethylphenyl}-4-hydroxy-3-methyl-1H-pyrazol-4-ylmethylene)amino]-2-thioxothiazolidin-4-one
4-[[3-[[2-(3,4-dimethylphenyl)-4-hydroxy-5-methyl-3H-pyrazol-4-yl]methylideneamino]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
C24H22N4O4S2494.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CC1=NN(c2ccc(C)c(C)c2)CC1(O)C=NN1C(=O)C(=Cc2ccc(C(=O)O)cc2)SC1=S
- InChIKey
- FHAAPGSTCHOJNB-UHFFFAOYSA-N
- 分子式
- C24H22N4O4S2
- 平均分子量
- 494.6 g/mol
- 单同位素质量
- 494.10824754
COMPUTED
结构计算性质
- XLogP
- 4.3
- 极性表面积
- 163 Ų
- 氢键供体
- 2
- 氢键受体
- 9
- 可旋转键
- 5
- 重原子
- 34
- 形式电荷
- 0
- 复杂度
- 943
ALIASES
名称与别名
SCHEMBL6762073FHAAPGSTCHOJNB-UHFFFAOYSA-N5-(4-carboxybenzylidene)-3-[(1-{3,4-dimethylphenyl}-4-hydroxy-3-methyl-1H-pyrazol-4-ylmethylene)amino]-2-thioxothiazolidin-4-one
REACTIONS
参与反应