866894-77-1 ((N-(2,5-dimethylphenyl)-2-({5-(4-methylphenyl)methyl-6-oxo-8-oxa-3,5-diazatricyclo7.4.0.0^{2,7}trideca-1(9),2(7),3,10,12-pentaen-4-yl}sulfanyl)acetamide)

CAS号:
866894-77-1
英文名称:
N-(2,5-dimethylphenyl)-2-({5-(4-methylphenyl)methyl-6-oxo-8-oxa-3,5-diazatricyclo7.4.0.0^{2,7}trideca-1(9),2(7),3,10,12-pentaen-4-yl}sulfanyl)acetamide
分子式:
C28H25N3O3S
分子量:
483.58140540123

N-(2,5-dimethylphenyl)-2-({5-(4-methylphenyl)methyl-6-oxo-8-oxa-3,5-diazatricyclo7.4.0.0^{2,7}trideca-1(9),2(7),3,10,12-pentaen-4-yl}sulfanyl)acetamide(866894-77-1)名称与标识符

名称

英文别名:
N-(2,5-dimethylphenyl)-2-({5-(4-methylphenyl)methyl-6-oxo-8-oxa-3,5-diazatricyclo7.4.0.0^{2,7}trideca-1(9),2(7),3,10,12-pentaen-4-yl}sulfanyl)acetamide;N-(2,5-dimethylphenyl)-2-[[3-[(4-methylphenyl)methyl]-4-oxo-[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide;F1607-0484;866894-77-1;N-(2,5-dimethylphenyl)-2-{[3-(4-methylbenzyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]thio}acetamide;N-(2,5-DIMETHYLPHENYL)-2-{[3-(4-METHYLBENZYL)-4-OXO-3,4-DIHYDRO[1]BENZOFURO[3,2-D]PYRIMIDIN-2-YL]SULFANYL}ACETAMIDE;N-(2,5-dimethylphenyl)-2-((3-(4-methylbenzyl)-4-oxo-3,4-dihydrobenzofuro[3,2-d]pyrimidin-2-yl)thio)acetamide;AKOS001857181;N-(2,5-dimethylphenyl)-2-({5-[(4-methylphenyl)methyl]-6-oxo-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl}sulfanyl)acetamide;

标识符

InChIKey:
FKBFMFWURGRRMA-UHFFFAOYSA-N
Inchi:
1S/C28H25N3O3S/c1-17-9-12-20(13-10-17)15-31-27(33)26-25(21-6-4-5-7-23(21)34-26)30-28(31)35-16-24(32)29-22-14-18(2)8-11-19(22)3/h4-14H,15-16H2,1-3H3,(H,29,32)
SMILES:
S(CC(NC1C=C(C)C=CC=1C)=O)C1=NC2C3C=CC=CC=3OC=2C(N1CC1C=CC(C)=CC=1)=O

N-(2,5-dimethylphenyl)-2-({5-(4-methylphenyl)methyl-6-oxo-8-oxa-3,5-diazatricyclo7.4.0.0^{2,7}trideca-1(9),2(7),3,10,12-pentaen-4-yl}sulfanyl)acetamide(866894-77-1)物化性质

计算特性

  • 精确分子量 : 483.16166284g/mol
  • 氢键供体数量 : 1
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 6
  • 同位素质量 : 483.16166284g/mol
  • 重原子数量 : 35
  • 复杂度 : 811
  • 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 : 0
  • 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) : 6
  • 拓扑分子极性表面积 : 100Ų