uspto-grants-2012_05 · 10.6084/m9.figshare.5104873.v1 · US08178549B2
查看![5-(3-methyl-4-isothiazolyl)-1-(3-{(1S,5R)-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hex-3-yl}propyl)-2,4(1H,3H)-pyrimidinedione 分子结构式](/api/mol/25253445/svg/360x280.svg)
HCID25253445
5-(3-methyl-4-isothiazolyl)-1-(3-{(1S,5R)-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hex-3-yl}propyl)-2,4(1H,3H)-pyrimidinedione
5-(3-methyl-1,2-thiazol-4-yl)-1-[3-[(1S,5R)-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]propyl]pyrimidine-2,4-dione
C23H23F3N4O2S476.5 g/mol
IDENTITY
结构与身份
- 标准SMILES
- Cc1nscc1-c1cn(CCCN2C[C@@H]3C[C@]3(c3ccc(C(F)(F)F)cc3)C2)c(=O)[nH]c1=O
- InChIKey
- NIXSCOKTWDOGGR-HTAPYJJXSA-N
- 分子式
- C23H23F3N4O2S
- 平均分子量
- 476.5 g/mol
- 单同位素质量
- 476.14938165
COMPUTED
结构计算性质
- XLogP
- 3.5
- 极性表面积
- 93.8 Ų
- 氢键供体
- 1
- 氢键受体
- 8
- 可旋转键
- 6
- 重原子
- 33
- 形式电荷
- 0
- 复杂度
- 829
ALIASES
名称与别名
5-(3-methyl-4-isothiazolyl)-1-(3-{(1S,5R)-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hex-3-yl}propyl)-2,4(1H,3H)-pyrimidinedioneSCHEMBL2745413
REACTIONS
参与反应
uspto-grants-2012_05 · 10.6084/m9.figshare.5104873.v1 · US08178549B2
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