HCID86615951

5-(trifluoromethyl)-1-(3-{(1S,5R)-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hex-3-yl}propyl)-2,4(1H,3H)-pyrimidinedione hydrochloride

5-(trifluoromethyl)-1-[3-[(1S,5R)-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]propyl]pyrimidine-2,4-dione;hydrochloride

C20H20ClF6N3O2483.8 g/mol

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IDENTITY

结构与身份

标准SMILES: Cl.O=c1[nH]c(=O)n(CCCN2C[C@@H]3C[C@]3(c3ccc(C(F)(F)F)cc3)C2)cc1C(F)(F)F
InChIKey: XLUXHBKYOLPIOT-QLOBERJESA-N
分子式: C20H20ClF6N3O2
平均分子量: 483.8 g/mol
单同位素质量: 483.1148236

COMPUTED

结构计算性质

已同步

极性表面积: 52.7 Å²
氢键供体: 2
氢键受体: 9
可旋转键: 5
重原子: 32
形式电荷: 0
复杂度: 772

ALIASES

名称与别名

共 2 条

5-(trifluoromethyl)-1-(3-{(1S,5R)-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hex-3-yl}propyl)-2,4(1H,3H)-pyrimidinedione hydrochlorideSCHEMBL3559610

REACTIONS