uspto-grants-2015_11 · 10.6084/m9.figshare.5104873.v1 · US09187450B2
查看![4-(4,4-Difluorocyclohexyl)-3-{fluoro[4-(trifluoromethyl)phenyl]methyl}-5-[(4-methoxybenzyl)oxy]-7,7-dimethyl-2-(1-{5-[(propan-2-yloxy)methyl]pyrimidin-2-yl}piperidin-4-yl)-5,6,7,8-tetrahydroquinoline 分子结构式](/api/mol/86682439/svg/360x280.svg)
HCID86682439
4-(4,4-Difluorocyclohexyl)-3-{fluoro[4-(trifluoromethyl)phenyl]methyl}-5-[(4-methoxybenzyl)oxy]-7,7-dimethyl-2-(1-{5-[(propan-2-yloxy)methyl]pyrimidin-2-yl}piperidin-4-yl)-5,6,7,8-tetrahydroquinoline
4-(4,4-difluorocyclohexyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-5-[(4-methoxyphenyl)methoxy]-7,7-dimethyl-2-[1-[5-(propan-2-yloxymethyl)pyrimidin-2-yl]piperidin-4-yl]-6,8-dihydro-5H-quinoline
C46H54F6N4O3824.9 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COc1ccc(COC2CC(C)(C)Cc3nc(C4CCN(c5ncc(COC(C)C)cn5)CC4)c(C(F)c4ccc(C(F)(F)F)cc4)c(C4CCC(F)(F)CC4)c32)cc1
- InChIKey
- DOHOKWYKRKMSIO-UHFFFAOYSA-N
- 分子式
- C46H54F6N4O3
- 平均分子量
- 824.9 g/mol
- 单同位素质量
- 824.41001057
COMPUTED
结构计算性质
- XLogP
- 9.7
- 极性表面积
- 69.6 Ų
- 氢键供体
- 0
- 氢键受体
- 13
- 可旋转键
- 12
- 重原子
- 59
- 形式电荷
- 0
- 复杂度
- 1,280
ALIASES
名称与别名
4-(4,4-Difluorocyclohexyl)-3-{fluoro[4-(trifluoromethyl)phenyl]methyl}-5-[(4-methoxybenzyl)oxy]-7,7-dimethyl-2-(1-{5-[(propan-2-yloxy)methyl]pyrimidin-2-yl}piperidin-4-yl)-5,6,7,8-tetrahydroquinolineSCHEMBL14892894
REACTIONS
参与反应
uspto-grants-2015_11 · 10.6084/m9.figshare.5104873.v1 · US09187450B2
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