1934-93-6 ((Isoquinoline,1,2,3,4-tetrahydro-6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-)

CAS号:
1934-93-6
英文名称:
Isoquinoline,1,2,3,4-tetrahydro-6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-
分子式:
C20H25NO3
分子量:
327.417405843735

Isoquinoline,1,2,3,4-tetrahydro-6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-(1934-93-6)名称与标识符

名称

英文别名:
Isoquinoline,1,2,3,4-tetrahydro-6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-;1,2,3,4-Tetrahydro-1-(4-methoxybenzyl)-6,7-dimethoxy-2-methylisoquinoline;DL-Armepavine, O-methyl-;1-(4-Methoxybenzyl)-2-methyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquin;1-(p-methoxybenzyl)-6,7-dimethoxy-N-methyl-tetrahydro-isoquinoline;1-(p-methoxybenzyl)-6,7-dimethoxytetrahydroisoquinoline;1,2,3,4-Tetrahydro-6,7-dimethoxy-1-(4-methoxybenzyl)-2-methylisoquinoline;6,7-dimethoxy-1-(4-methoxy-benzyl)-2-methyl-1,2,3,4-tetrahydro-isoquinoline;O-Methylarmepavine;7,12-O,O'-dimethyl-N-methylcoclaurine;Csh 068;Csh-068;CSH068;SY355122;13425-06-4;(+)-O-Methylarmepavine;NSC-89826;(R)-6,7-Dimethoxy-1-(4-methoxybenzyl)-2-methyl-1,2,3,4-tetrahydroisoquinoline;1934-93-6;Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-((4-methoxyphenyl)methyl)-2-methyl-;DTXSID60928534;CHEBI:172557;6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline;6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroisoquinoline;LZJWNVLTWYMMDJ-UHFFFAOYSA-N;SCHEMBL12807818;7,12-O,O''''-dimethyl-N-methylcoclaurine;BDBM50478462;CHEMBL452500;NSC89826;

标识符

InChIKey:
LZJWNVLTWYMMDJ-UHFFFAOYSA-N
Inchi:
1S/C20H25NO3/c1-21-10-9-15-12-19(23-3)20(24-4)13-17(15)18(21)11-14-5-7-16(22-2)8-6-14/h5-8,12-13,18H,9-11H2,1-4H3
SMILES:
O(C)C1C(=CC2CCN(C)C(CC3C=CC(=CC=3)OC)C=2C=1)OC

Isoquinoline,1,2,3,4-tetrahydro-6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-(1934-93-6)物化性质

实验特性

  • LogP : 3.42200
  • PSA : 30.93000

计算特性

  • 精确分子量 : 327.18300
  • 氢键供体数量 : 0
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 5
  • 同位素质量 : 327.18344366g/mol
  • 重原子数量 : 24
  • 复杂度 : 383
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 1
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 3.7
  • 拓扑分子极性表面积 : 30.9Ų