uspto-grants-2013_10 · 10.6084/m9.figshare.5104873.v1 · US08569314B2
查看![(rac)-7-(4-Cyanophenyl)-2-(methoxymethyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile 分子结构式](/api/mol/66628235/svg/360x280.svg)
HCID66628235
(rac)-7-(4-Cyanophenyl)-2-(methoxymethyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
7-(4-cyanophenyl)-2-(methoxymethyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
C23H17F3N6O450.4 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COCc1nc2n(n1)C(c1ccc(C#N)cc1)C(C#N)=C(C)N2c1cccc(C(F)(F)F)c1
- InChIKey
- BALXXRHMBVXFOG-UHFFFAOYSA-N
- 分子式
- C23H17F3N6O
- 平均分子量
- 450.4 g/mol
- 单同位素质量
- 450.14159367
COMPUTED
结构计算性质
- XLogP
- 3.9
- 极性表面积
- 90.8 Ų
- 氢键供体
- 0
- 氢键受体
- 9
- 可旋转键
- 4
- 重原子
- 33
- 形式电荷
- 0
- 复杂度
- 849
ALIASES
名称与别名
(rac)-7-(4-Cyanophenyl)-2-(methoxymethyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrileSCHEMBL230760
REACTIONS
参与反应
uspto-grants-2016_06 · 10.6084/m9.figshare.5104873.v1 · US09359362B2
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