uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07732449B2
查看![2-(r)-Cyclohexylmethyl-4-(1,1-dioxo-thiomorpholin-4-yl)-n-[1-(s)-methyl-2-(4-trifluoromethoxy-phenylamino)-ethyl]-4-oxo-butyramide 分子结构式](/api/mol/11214948/svg/360x280.svg)
HCID11214948
2-(r)-Cyclohexylmethyl-4-(1,1-dioxo-thiomorpholin-4-yl)-n-[1-(s)-methyl-2-(4-trifluoromethoxy-phenylamino)-ethyl]-4-oxo-butyramide
(2R)-2-(cyclohexylmethyl)-4-(1,1-dioxo-1,4-thiazinan-4-yl)-4-oxo-N-[(2S)-1-[4-(trifluoromethoxy)anilino]propan-2-yl]butanamide
C25H36F3N3O5S547.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCS(=O)(=O)CC1)CC1CCCCC1
- InChIKey
- YHJJJGLYGNCCDK-AZUAARDMSA-N
- 分子式
- C25H36F3N3O5S
- 平均分子量
- 547.6 g/mol
- 单同位素质量
- 547.23277692
COMPUTED
结构计算性质
- XLogP
- 4.5
- 极性表面积
- 113 Ų
- 氢键供体
- 2
- 氢键受体
- 9
- 可旋转键
- 10
- 重原子
- 37
- 形式电荷
- 0
- 复杂度
- 837
物化、安全与法规信息正在同步。
ALIASES
名称与别名
2-(r)-cyclohexylmethyl-4-(1,1-dioxo-thiomorpholin-4-yl)-n-[1-(s)-methyl-2-(4-trifluoromethoxy-phenylamino)-ethyl]-4-oxo-butyramideSCHEMBL3011507
REACTIONS
