670259-54-8 ((ethyl 14,21-dioxo-2-azapentacyclo11.8.0.0^{2,11}.0^{3,8}.0^{15,20}henicosa-1(13),3,5,7,9,11,15,17,19-nonaene-12-carboxylate)

CAS号:
670259-54-8
英文名称:
ethyl 14,21-dioxo-2-azapentacyclo11.8.0.0^{2,11}.0^{3,8}.0^{15,20}henicosa-1(13),3,5,7,9,11,15,17,19-nonaene-12-carboxylate
分子式:
C23H15NO4
分子量:
369.369506120682

ethyl 14,21-dioxo-2-azapentacyclo11.8.0.0^{2,11}.0^{3,8}.0^{15,20}henicosa-1(13),3,5,7,9,11,15,17,19-nonaene-12-carboxylate(670259-54-8)名称与标识符

名称

英文别名:
ethyl 14,21-dioxo-2-azapentacyclo11.8.0.0^{2,11}.0^{3,8}.0^{15,20}henicosa-1(13),3,5,7,9,11,15,17,19-nonaene-12-carboxylate;Benz[5,6]indolo[1,2-a]quinoline-7-carboxylic acid, 8,13-dihydro-8,13-dioxo-, ethyl ester;ethyl 14,21-dioxo-2-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),3,5,7,9,11,15,17,19-nonaene-12-carboxylate;8,13-Dioxo-13b-aza-13bH-dibenzo[b,g]fluorene-7-carboxylic acid ethyl ester;ethyl 8,13-dioxo-8,13-dihydrobenzo[5,6]indolo[1,2-a]quinoline-7-carboxylate;ethyl 14,21-dioxo-2-azapentacyclo[11.8.0.0^{2,11}.0^{3,8}.0^{15,20}]henicosa-1(13),3,5,7,9,11,15,17,19-nonaene-12-carboxylate;F1414-1607;AKOS024608627;670259-54-8;

标识符

InChIKey:
GCBROEWRLRWGLB-UHFFFAOYSA-N
Inchi:
1S/C23H15NO4/c1-2-28-23(27)18-17-12-11-13-7-3-6-10-16(13)24(17)20-19(18)21(25)14-8-4-5-9-15(14)22(20)26/h3-12H,2H2,1H3
SMILES:
N12C3=C(C(=O)C4=CC=CC=C4C3=O)C(C(OCC)=O)=C1C=CC1=C2C=CC=C1

ethyl 14,21-dioxo-2-azapentacyclo11.8.0.0^{2,11}.0^{3,8}.0^{15,20}henicosa-1(13),3,5,7,9,11,15,17,19-nonaene-12-carboxylate(670259-54-8)物化性质

实验特性

  • 沸点 : 461.5±45.0 °C(Predicted)
  • 熔点 : 219-220 °C(Solv: ligroine (8032-32-4); chloroform (67-66-3))
  • 密度 : 1.37±0.1 g/cm3(Predicted)

计算特性

  • 精确分子量 : 369.10010796g/mol
  • 氢键供体数量 : 0
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 3
  • 同位素质量 : 369.10010796g/mol
  • 重原子数量 : 28
  • 复杂度 : 676
  • 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) : 5.3
  • 拓扑分子极性表面积 : 64.8Ų