2034474-07-0 ((3-(2-methoxyethyl)-1-[(1r,4r)-4-[(5-fluoropyrimidin-2-yl)oxy]cyclohexyl]urea)

CAS号:
2034474-07-0
英文名称:
3-(2-methoxyethyl)-1-[(1r,4r)-4-[(5-fluoropyrimidin-2-yl)oxy]cyclohexyl]urea
分子式:
C14H21FN4O3
分子量:
312.3399

3-(2-methoxyethyl)-1-[(1r,4r)-4-[(5-fluoropyrimidin-2-yl)oxy]cyclohexyl]urea(2034474-07-0)名称与标识符

名称

英文别名:
SPBFDVHZKWVRFE-HAQNSBGRSA-N;1-((1r,4r)-4-((5-fluoropyrimidin-2-yl)oxy)cyclohexyl)-3-(2-methoxyethyl)urea;1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-(2-methoxyethyl)urea;3-(2-methoxyethyl)-1-[(1r,4r)-4-[(5-fluoropyrimidin-2-yl)oxy]cyclohexyl]urea;

标识符

InChIKey:
SPBFDVHZKWVRFE-UHFFFAOYSA-N
Inchi:
1S/C14H21FN4O3/c1-21-7-6-16-13(20)19-11-2-4-12(5-3-11)22-14-17-8-10(15)9-18-14/h8-9,11-12H,2-7H2,1H3,(H2,16,19,20)
SMILES:
FC1=C([H])N=C(N=C1[H])OC1([H])C([H])([H])C([H])([H])C([H])(C([H])([H])C1([H])[H])N([H])C(N([H])C([H])([H])C([H])([H])OC([H])([H])[H])=O

3-(2-methoxyethyl)-1-[(1r,4r)-4-[(5-fluoropyrimidin-2-yl)oxy]cyclohexyl]urea(2034474-07-0)物化性质

计算特性

  • 氢键供体数量 : 2
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 6
  • 重原子数量 : 22
  • 复杂度 : 332
  • 疏水参数计算参考值(XlogP) : 0.9
  • 拓扑分子极性表面积 : 85.4