1261006-44-3 ((N-(3-acetamidophenyl)-2-({4-oxo-3-[2-(thiophen-2-yl)ethyl]-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide)

CAS号:
1261006-44-3
英文名称:
N-(3-acetamidophenyl)-2-({4-oxo-3-[2-(thiophen-2-yl)ethyl]-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide
分子式:
C22H20N4O3S3
分子量:
484.614200592041

N-(3-acetamidophenyl)-2-({4-oxo-3-[2-(thiophen-2-yl)ethyl]-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide(1261006-44-3)名称与标识符

名称

英文别名:
N-(3-acetamidophenyl)-2-({4-oxo-3-[2-(thiophen-2-yl)ethyl]-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide;N-[3-(acetylamino)phenyl]-2-({4-oxo-3-[2-(thiophen-2-yl)ethyl]-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide;STL076684;N-(3-acetamidophenyl)-2-((4-oxo-3-(2-(thiophen-2-yl)ethyl)-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide;N-(3-acetamidophenyl)-2-[4-oxo-3-(2-thiophen-2-ylethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanylac;

标识符

InChIKey:
HINZDIAAELFYMW-UHFFFAOYSA-N
Inchi:
1S/C22H20N4O3S3/c1-14(27)23-15-4-2-5-16(12-15)24-19(28)13-32-22-25-18-8-11-31-20(18)21(29)26(22)9-7-17-6-3-10-30-17/h2-6,8,10-12H,7,9,13H2,1H3,(H,23,27)(H,24,28)
SMILES:
S(CC(NC1C=CC=C(C=1)NC(C)=O)=O)C1=NC2C=CSC=2C(N1CCC1=CC=CS1)=O

N-(3-acetamidophenyl)-2-({4-oxo-3-[2-(thiophen-2-yl)ethyl]-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide(1261006-44-3)物化性质

计算特性

  • 氢键供体数量 : 2
  • 氢键受体数量 : 7
  • 可旋转化学键数量 : 8
  • 重原子数量 : 32
  • 复杂度 : 750
  • 疏水参数计算参考值(XlogP) : 3.6
  • 拓扑分子极性表面积 : 173