1189452-21-8 ((2-{[3-(4-bromophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide)

CAS号:
1189452-21-8
英文名称:
2-{[3-(4-bromophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
分子式:
C24H25BrN4O3S
分子量:
529.449303388596

2-{[3-(4-bromophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide(1189452-21-8)名称与标识符

名称

英文别名:
2-((3-(4-bromophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide;2-{[3-(4-bromophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide;2-[[2-(4-bromophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide;2-{[3-(4-bromophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-die;

标识符

InChIKey:
ZGOMPGWCQMCHJL-UHFFFAOYSA-N
Inchi:
1S/C24H25BrN4O3S/c1-29-10-8-24(9-11-29)27-22(16-2-4-17(25)5-3-16)23(28-24)33-15-21(30)26-18-6-7-19-20(14-18)32-13-12-31-19/h2-7,14H,8-13,15H2,1H3,(H,26,30)
SMILES:
BrC1C=CC(=CC=1)C1C(=NC2(CCN(C)CC2)N=1)SCC(NC1C=CC2=C(C=1)OCCO2)=O

2-{[3-(4-bromophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide(1189452-21-8)物化性质

计算特性

  • 氢键供体数量 : 1
  • 氢键受体数量 : 7
  • 可旋转化学键数量 : 5
  • 重原子数量 : 33
  • 复杂度 : 778
  • 疏水参数计算参考值(XlogP) : 3.7
  • 拓扑分子极性表面积 : 101