2034448-77-4 ((N-[(3,4-dihydro-1H-2-benzopyran-3-yl)methyl]-N,1,2-trimethyl-1H-imidazole-4-sulfonamide)

CAS号:
2034448-77-4
英文名称:
N-[(3,4-dihydro-1H-2-benzopyran-3-yl)methyl]-N,1,2-trimethyl-1H-imidazole-4-sulfonamide
分子式:
C16H21N3O3S
分子量:
335.4212

N-[(3,4-dihydro-1H-2-benzopyran-3-yl)methyl]-N,1,2-trimethyl-1H-imidazole-4-sulfonamide(2034448-77-4)名称与标识符

名称

英文别名:
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N,1,2-trimethylimidazole-4-sulfonamide;N-(isochroman-3-ylmethyl)-N,1,2-trimethyl-1H-imidazole-4-sulfonamide;N-[(3,4-dihydro-1H-2-benzopyran-3-yl)methyl]-N,1,2-trimethyl-1H-imidazole-4-sulfonamide;

标识符

InChIKey:
BNCXWPFVODSTOG-UHFFFAOYSA-N
Inchi:
1S/C16H21N3O3S/c1-12-17-16(10-18(12)2)23(20,21)19(3)9-15-8-13-6-4-5-7-14(13)11-22-15/h4-7,10,15H,8-9,11H2,1-3H3
SMILES:
S(C1=C([H])N(C([H])([H])[H])C(C([H])([H])[H])=N1)(N(C([H])([H])[H])C([H])([H])C1([H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2C([H])([H])O1)(=O)=O

N-[(3,4-dihydro-1H-2-benzopyran-3-yl)methyl]-N,1,2-trimethyl-1H-imidazole-4-sulfonamide(2034448-77-4)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 : 4
  • 重原子数量 : 23
  • 复杂度 : 507
  • 疏水参数计算参考值(XlogP) : 1.3
  • 拓扑分子极性表面积 : 72.8