uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08198454B2
查看![5-benzyloxy-N-({1-[(6-(dimethylamino)pyridin-2-yl)methyl]pyrazol-4-yl}methyl)-N-(6-methoxypyridin-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide 分子结构式](/api/mol/59597268/svg/360x280.svg)
HCID59597268
5-benzyloxy-N-({1-[(6-(dimethylamino)pyridin-2-yl)methyl]pyrazol-4-yl}methyl)-N-(6-methoxypyridin-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
N-[[1-[[6-(dimethylamino)-2-pyridinyl]methyl]pyrazol-4-yl]methyl]-N-(6-methoxy-3-pyridinyl)-5-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxamide
C36H38N6O3602.7 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COc1ccc(N(Cc2cnn(Cc3cccc(N(C)C)n3)c2)C(=O)C2CCCc3c(OCc4ccccc4)cccc32)cn1
- InChIKey
- NDDVRVAMCSVNMT-UHFFFAOYSA-N
- 分子式
- C36H38N6O3
- 平均分子量
- 602.7 g/mol
- 单同位素质量
- 602.3005391
COMPUTED
结构计算性质
- XLogP
- 5.4
- 极性表面积
- 85.6 Ų
- 氢键供体
- 0
- 氢键受体
- 7
- 可旋转键
- 11
- 重原子
- 45
- 形式电荷
- 0
- 复杂度
- 917
ALIASES
名称与别名
SCHEMBL1844859NDDVRVAMCSVNMT-UHFFFAOYSA-N5-benzyloxy-N-({1-[(6-(dimethylamino)pyridin-2-yl)methyl]pyrazol-4-yl}methyl)-N-(6-methoxypyridin-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
REACTIONS
