uspto-grants-2014_07 · 10.6084/m9.figshare.5104873.v1 · US08772511B2
查看![N-[(3R)-1-Azabicyclo[2.2.2]oct-3-yl]-6-[({[4-methoxy-3-(trifluoromethyl)phenyl]-amino}carbonyl)amino]-1-benzothiophene-2-carboxamide hydrochloride 分子结构式](/api/mol/66904136/svg/360x280.svg)
HCID66904136
N-[(3R)-1-Azabicyclo[2.2.2]oct-3-yl]-6-[({[4-methoxy-3-(trifluoromethyl)phenyl]-amino}carbonyl)amino]-1-benzothiophene-2-carboxamide hydrochloride
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoylamino]-1-benzothiophene-2-carboxamide;hydrochloride
C25H26ClF3N4O3S555 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COc1ccc(NC(=O)Nc2ccc3cc(C(=O)N[C@H]4CN5CCC4CC5)sc3c2)cc1C(F)(F)F.Cl
- InChIKey
- AWNYWAUQNBMQPO-FYZYNONXSA-N
- 分子式
- C25H26ClF3N4O3S
- 平均分子量
- 555 g/mol
- 单同位素质量
- 554.1366241
COMPUTED
结构计算性质
- 极性表面积
- 111 Ų
- 氢键供体
- 4
- 氢键受体
- 8
- 可旋转键
- 5
- 重原子
- 37
- 形式电荷
- 0
- 复杂度
- 810
ALIASES
名称与别名
N-[(3R)-1-Azabicyclo[2.2.2]oct-3-yl]-6-[({[4-methoxy-3-(trifluoromethyl)phenyl]-amino}carbonyl)amino]-1-benzothiophene-2-carboxamide hydrochlorideSCHEMBL1090402
REACTIONS
