2034333-92-9 ((1-{3-[(6-methoxypyrazin-2-yl)oxy]pyrrolidin-1-yl}-2-(3-methylphenoxy)ethan-1-one)

CAS号:
2034333-92-9
英文名称:
1-{3-[(6-methoxypyrazin-2-yl)oxy]pyrrolidin-1-yl}-2-(3-methylphenoxy)ethan-1-one
分子式:
C18H21N3O4
分子量:
343.3770

1-{3-[(6-methoxypyrazin-2-yl)oxy]pyrrolidin-1-yl}-2-(3-methylphenoxy)ethan-1-one(2034333-92-9)名称与标识符

名称

英文别名:
1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-(3-methylphenoxy)ethanone;1-(3-((6-methoxypyrazin-2-yl)oxy)pyrrolidin-1-yl)-2-(m-tolyloxy)ethanone;1-{3-[(6-methoxypyrazin-2-yl)oxy]pyrrolidin-1-yl}-2-(3-methylphenoxy)ethan-1-one;

标识符

InChIKey:
XEWXXTHRUWRNOT-UHFFFAOYSA-N
Inchi:
1S/C18H21N3O4/c1-13-4-3-5-14(8-13)24-12-18(22)21-7-6-15(11-21)25-17-10-19-9-16(20-17)23-2/h3-5,8-10,15H,6-7,11-12H2,1-2H3
SMILES:
O(C1C([H])=NC([H])=C(N=1)OC([H])([H])[H])C1([H])C([H])([H])N(C(C([H])([H])OC2=C([H])C([H])=C([H])C(C([H])([H])[H])=C2[H])=O)C([H])([H])C1([H])[H]

1-{3-[(6-methoxypyrazin-2-yl)oxy]pyrrolidin-1-yl}-2-(3-methylphenoxy)ethan-1-one(2034333-92-9)物化性质

计算特性

  • 氢键供体数量 : 0
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 6
  • 重原子数量 : 25
  • 复杂度 : 437
  • 疏水参数计算参考值(XlogP) : 2.1
  • 拓扑分子极性表面积 : 73.8