Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
查看![2-((2-Chloro-6-fluorophenyl)amino)-N-(2-fluoro-4-methylphenyl)-7,7-dimethyl-7,8-dihydro-1H-benzofuro[4,5-d]imidazole-5-carboxamide 分子结构式](/api/mol/178426550/svg/360x280.svg)
HCID178426550
2-((2-Chloro-6-fluorophenyl)amino)-N-(2-fluoro-4-methylphenyl)-7,7-dimethyl-7,8-dihydro-1H-benzofuro[4,5-d]imidazole-5-carboxamide
2-(2-chloro-6-fluoroanilino)-N-(2-fluoro-4-methylphenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
C25H21ClF2N4O2482.9 g/mol
IDENTITY
结构与身份
- 标准SMILES
- Cc1ccc(NC(=O)c2cc3nc(Nc4c(F)cccc4Cl)[nH]c3c3c2OC(C)(C)C3)c(F)c1
- InChIKey
- YUEGTPUXHYOCPK-UHFFFAOYSA-N
- 分子式
- C25H21ClF2N4O2
- 平均分子量
- 482.9 g/mol
- 单同位素质量
- 482.1321099
COMPUTED
结构计算性质
- XLogP
- 6
- 极性表面积
- 79 Ų
- 氢键供体
- 3
- 氢键受体
- 6
- 可旋转键
- 4
- 重原子
- 34
- 形式电荷
- 0
- 复杂度
- 760
ALIASES
名称与别名
SCHEMBL2700352YUEGTPUXHYOCPK-UHFFFAOYSA-N2-((2-Chloro-6-fluorophenyl)amino)-N-(2-fluoro-4-methylphenyl)-7,7-dimethyl-7,8-dihydro-1H-benzofuro[4,5-d]imidazole-5-carboxamide
REACTIONS
参与反应
uspto-grants-2013_08 · 10.6084/m9.figshare.5104873.v1 · US08519149B2
查看