uspto-grants-2015_05 · 10.6084/m9.figshare.5104873.v1 · US09029538B2
查看![2-Ethyl-4-(4-fluoro-phenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid [4-(6,7-dimethoxy-quinolin-4-yloxy)-2-methoxy-phenyl]-amide 分子结构式](/api/mol/90452725/svg/360x280.svg)
HCID90452725
2-Ethyl-4-(4-fluoro-phenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid [4-(6,7-dimethoxy-quinolin-4-yloxy)-2-methoxy-phenyl]-amide
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-2-ethyl-4-(4-fluorophenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
C30H26FN5O7587.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CCn1nc(C(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2OC)c(=O)n(-c2ccc(F)cc2)c1=O
- InChIKey
- YHISAEIEMXGJBL-UHFFFAOYSA-N
- 分子式
- C30H26FN5O7
- 平均分子量
- 587.6 g/mol
- 单同位素质量
- 587.18162635
COMPUTED
结构计算性质
- XLogP
- 4.4
- 极性表面积
- 132 Ų
- 氢键供体
- 1
- 氢键受体
- 10
- 可旋转键
- 9
- 重原子
- 43
- 形式电荷
- 0
- 复杂度
- 1,040
ALIASES
名称与别名
CHEMBL6040407SCHEMBL16090017YHISAEIEMXGJBL-UHFFFAOYSA-N2-Ethyl-4-(4-fluoro-phenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid [4-(6,7-dimethoxy-quinolin-4-yloxy)-2-methoxy-phenyl]-amide
REACTIONS
参与反应
uspto-grants-2015_09 · 10.6084/m9.figshare.5104873.v1 · US09120778B2
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