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]-2-{1-[5-(methoxymethyl)pyrimidin-2-yl]piperidin-4-yl}-7,7-dimethyl-5,6,7,8-tetrahydroquinoline 分子结构式](/api/mol/86682437/svg/360x280.svg)
HCID86682437
4-(4,4-Difluorocyclohexyl)-3-{fluoro[4-(trifluoromethyl)phenyl]methyl}-5-[(4-methoxybenzyl)oxy]-2-{1-[5-(methoxymethyl)pyrimidin-2-yl]piperidin-4-yl}-7,7-dimethyl-5,6,7,8-tetrahydroquinoline
4-(4,4-difluorocyclohexyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-[1-[5-(methoxymethyl)pyrimidin-2-yl]piperidin-4-yl]-5-[(4-methoxyphenyl)methoxy]-7,7-dimethyl-6,8-dihydro-5H-quinoline
C44H50F6N4O3796.9 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COCc1cnc(N2CCC(c3nc4c(c(C5CCC(F)(F)CC5)c3C(F)c3ccc(C(F)(F)F)cc3)C(OCc3ccc(OC)cc3)CC(C)(C)C4)CC2)nc1
- InChIKey
- DRGRXTPJORYOMN-UHFFFAOYSA-N
- 分子式
- C44H50F6N4O3
- 平均分子量
- 796.9 g/mol
- 单同位素质量
- 796.37871044
COMPUTED
结构计算性质
- XLogP
- 8.9
- 极性表面积
- 69.6 Ų
- 氢键供体
- 0
- 氢键受体
- 13
- 可旋转键
- 11
- 重原子
- 57
- 形式电荷
- 0
- 复杂度
- 1,240
ALIASES
名称与别名
4-(4,4-Difluorocyclohexyl)-3-{fluoro[4-(trifluoromethyl)phenyl]methyl}-5-[(4-methoxybenzyl)oxy]-2-{1-[5-(methoxymethyl)pyrimidin-2-yl]piperidin-4-yl}-7,7-dimethyl-5,6,7,8-tetrahydroquinolineSCHEMBL148919594-(4,4-Difluorocyclohexyl)-3-{fluoro[4-(tri fluoromethyl)phenyl]methyl}-5-[(4-methoxybenzyl)oxy]-2-{1-[5-(methoxymethyl)pyrimidin-2-yl]piperidin-4-yl}-7,7-dimethyl-5,6,7,8-tetrahydroquinoline
REACTIONS
参与反应
uspto-grants-2015_11 · 10.6084/m9.figshare.5104873.v1 · US09187450B2
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