2034225-48-2 ((2-(benzyloxy)-1-[3-(pyridazin-3-yloxy)piperidin-1-yl]ethan-1-one)

CAS号:
2034225-48-2
英文名称:
2-(benzyloxy)-1-[3-(pyridazin-3-yloxy)piperidin-1-yl]ethan-1-one
分子式:
C18H21N3O3
分子量:
327.377644300461

2-(benzyloxy)-1-[3-(pyridazin-3-yloxy)piperidin-1-yl]ethan-1-one(2034225-48-2)名称与标识符

名称

英文别名:
2-(benzyloxy)-1-(3-(pyridazin-3-yloxy)piperidin-1-yl)ethanone;2-phenylmethoxy-1-(3-pyridazin-3-yloxypiperidin-1-yl)ethanone;2-(benzyloxy)-1-[3-(pyridazin-3-yloxy)piperidin-1-yl]ethan-1-one;

标识符

InChIKey:
ZNJYPNFDOVEHQL-UHFFFAOYSA-N
Inchi:
1S/C18H21N3O3/c22-18(14-23-13-15-6-2-1-3-7-15)21-11-5-8-16(12-21)24-17-9-4-10-19-20-17/h1-4,6-7,9-10,16H,5,8,11-14H2
SMILES:
O(C1=CC=CN=N1)C1CN(C(COCC2C=CC=CC=2)=O)CCC1

2-(benzyloxy)-1-[3-(pyridazin-3-yloxy)piperidin-1-yl]ethan-1-one(2034225-48-2)物化性质

计算特性

  • 氢键供体数量 : 0
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 6
  • 重原子数量 : 24
  • 复杂度 : 388
  • 疏水参数计算参考值(XlogP) : 1.6
  • 拓扑分子极性表面积 : 64.599