uspto-grants-2013_10 · 10.6084/m9.figshare.5104873.v1 · US08551985B2
查看![(2R,5S,Z)-3-(2-{4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-(prop-1-en-1-yl)phenyl]-2,5-dimethylpiperazin-1-yl}-2-oxoethyl)-5-(4-isopropoxyphenyl)-5-methylimidazolidine-2,4-dione 分子结构式](/api/mol/86647203/svg/360x280.svg)
HCID86647203
(2R,5S,Z)-3-(2-{4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-(prop-1-en-1-yl)phenyl]-2,5-dimethylpiperazin-1-yl}-2-oxoethyl)-5-(4-isopropoxyphenyl)-5-methylimidazolidine-2,4-dione
(5S)-3-[2-[(2R)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-[(Z)-prop-1-enyl]phenyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
C33H38F6N4O5684.7 g/mol
IDENTITY
结构与身份
- 标准SMILES
- C/C=C\c1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1N1C[C@@H](C)N(C(=O)CN2C(=O)N[C@@](C)(c3ccc(OC(C)C)cc3)C2=O)CC1C
- InChIKey
- JUUPESUUXTZPBN-DWOABKBYSA-N
- 分子式
- C33H38F6N4O5
- 平均分子量
- 684.7 g/mol
- 单同位素质量
- 684.2746393
COMPUTED
结构计算性质
- XLogP
- 6
- 极性表面积
- 102 Ų
- 氢键供体
- 2
- 氢键受体
- 12
- 可旋转键
- 8
- 重原子
- 48
- 形式电荷
- 0
- 复杂度
- 1,210
ALIASES
名称与别名
(2R,5S,Z)-3-(2-{4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-(prop-1-en-1-yl)phenyl]-2,5-dimethylpiperazin-1-yl}-2-oxoethyl)-5-(4-isopropoxyphenyl)-5-methylimidazolidine-2,4-dioneSCHEMBL104079(2R,5S,Z)-3-(2-{4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-(prop-1-en-1-yl)phenyl]-2,5-dimethylpiperazin-1-yl}-2-oxoethyl)-5-[4-(1-methylethoxy)phenyl]-5-methylimidazolidine-2,4-dione
REACTIONS
参与反应
uspto-grants-2013_10 · 10.6084/m9.figshare.5104873.v1 · US08551985B2
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