uspto-grants-2016_04 · 10.6084/m9.figshare.5104873.v1 · US09301951B2
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HCID66588039
N1-(2-(diethylamino)ethyl)-N1-methyl-N3-(4-(piperidin-1-yl)-2-(4-((3-(trifluoromethyl)benzyl)carbamoyl)pyridin-2-yl)phenyl)-isophthalamide
3-N-[2-(diethylamino)ethyl]-3-N-methyl-1-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]benzene-1,3-dicarboxamide
C40H45F3N6O3714.8 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CCN(CC)CCN(C)C(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1
- InChIKey
- NZGYWAUNGAIGQJ-UHFFFAOYSA-N
- 分子式
- C40H45F3N6O3
- 平均分子量
- 714.8 g/mol
- 单同位素质量
- 714.3505238
COMPUTED
结构计算性质
- XLogP
- 6.2
- 极性表面积
- 97.9 Ų
- 氢键供体
- 2
- 氢键受体
- 9
- 可旋转键
- 13
- 重原子
- 52
- 形式电荷
- 0
- 复杂度
- 1,150
ALIASES
名称与别名
N1-(2-(diethylamino)ethyl)-N1-methyl-N3-(4-(piperidin-1-yl)-2-(4-((3-(trifluoromethyl)benzyl)carbamoyl)pyridin-2-yl)phenyl)-isophthalamideSCHEMBL46659N1-(2-(diethylamino)ethyl)-N1-methyl-N3-(4-(piperidin-1-yl)-2-(4-((3-(trifluoromethyl)benzyl)carbamoyl)pyridin-2-yl)phenyl)isophthalamide
REACTIONS
