uspto-grants-2011_09 · 10.6084/m9.figshare.5104873.v1 · US08017612B2
查看![(R)-4-(5-cyclopropyl-thiazolo[4,5-d]pyrimidin-2-yl)-1-(4-trifluoromethoxy-benzenesulfonyl)-piperazine-2-carboxylic acid 4-trifluoromethoxy-benzylamide 分子结构式](/api/mol/59703781/svg/360x280.svg)
HCID59703781
(R)-4-(5-cyclopropyl-thiazolo[4,5-d]pyrimidin-2-yl)-1-(4-trifluoromethoxy-benzenesulfonyl)-piperazine-2-carboxylic acid 4-trifluoromethoxy-benzylamide
(2R)-4-(5-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine-2-carboxamide
C28H24F6N6O5S2702.7 g/mol
IDENTITY
结构与身份
- 标准SMILES
- O=C(NCc1ccc(OC(F)(F)F)cc1)[C@H]1CN(c2nc3nc(C4CC4)ncc3s2)CCN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1
- InChIKey
- BUULQSXAPBNIIW-OAQYLSRUSA-N
- 分子式
- C28H24F6N6O5S2
- 平均分子量
- 702.7 g/mol
- 单同位素质量
- 702.11537921
COMPUTED
结构计算性质
- XLogP
- 5.9
- 极性表面积
- 163 Ų
- 氢键供体
- 1
- 氢键受体
- 17
- 可旋转键
- 9
- 重原子
- 47
- 形式电荷
- 0
- 复杂度
- 1,190
ALIASES
名称与别名
(R)-4-(5-cyclopropyl-thiazolo[4,5-d]pyrimidin-2-yl)-1-(4-trifluoromethoxy-benzenesulfonyl)-piperazine-2-carboxylic acid 4-trifluoromethoxy-benzylamideSCHEMBL2442905
REACTIONS
参与反应