23402-09-7 (螺[5H,6H-5a,9a-(亚氨基甲烷)-1H-环戊[f]吲哚-7(8H),2’-[2H]吲哚-3’,5,10(1'H)-三酮,2,3,8a,9-四氢-8,8-二甲基-(2'R,5aR,8aS,9aR)-,Spiro[5H,6H-5a,9a-(iminomethano)-1H-cyclopent[f]indolizine-7(8H),2'-[2H]indole]-3',5,10(1'H)-trione,2,3,8a,9-tetrahydro-8,8-dimethyl-, (2'R,5aR,8aS,9aR)-)

CAS号:
23402-09-7
中文名称:
螺[5H,6H-5a,9a-(亚氨基甲烷)-1H-环戊[f]吲哚-7(8H),2’-[2H]吲哚-3’,5,10(1'H)-三酮,2,3,8a,9-四氢-8,8-二甲基-(2'R,5aR,8aS,9aR)-
英文名称:
Spiro[5H,6H-5a,9a-(iminomethano)-1H-cyclopent[f]indolizine-7(8H),2'-[2H]indole]-3',5,10(1'H)-trione,2,3,8a,9-tetrahydro-8,8-dimethyl-, (2'R,5aR,8aS,9aR)-
分子式:
C21H23N3O3
分子量:
365.425625085831

螺[5H,6H-5a,9a-(亚氨基甲烷)-1H-环戊[f]吲哚-7(8H),2’-[2H]吲哚-3’,5,10(1'H)-三酮,2,3,8a,9-四氢-8,8-二甲基-(2'R,5aR,8aS,9aR)-(23402-09-7)名称与标识符

名称

英文别名:
Spiro[5H,6H-5a,9a-(iminomethano)-1H-cyclopent[f]indolizine-7(8H),2'-[2H]indole]-3',5,10(1'H)-trione,2,3,8a,9-tetrahydro-8,8-dimethyl-, (2'R,5aR,8aS,9aR)-;Brevianamide A;Spiro[5H,6H-5a,9a-(iminomethano)-1H-cyclopent[f]indolizine-7(8H),2'-[2H]indole]-3',5,10(1'H)-trione,2,3,8a,9-tetrahydro-8,8-d;(+)-Brevianamide A;8,8-dimethyl-2,3,8a,9-tetrahydro-1h,8h,10h-spiro[5a,9a-(epiminomethano)cyclopenta[f]indolizine-7,2'-indole]-3',5,10(1'h)-trione;AC1L414R;AC1Q6LRP;AR-1H4137;NSC208423;Spiro(5H,6H-5a,9a-(iminomethano)-1H-cyclopent(f)indolizine-7(8H),2'-(2H)indole)-3',5,10(1'H)-trione, 2,3,8a,9-tetrahydro-8,8-dimethyl- (VAN) (9CI);NSC-208423;NSC784315;(1R,3S,5R,7R)-4,4-Dimethyl-13H-spiro[9,14-diazatetracyclo[5.5.2.01,9.03,7]tetradecane-5,2'-indole]-3',8,13(1'H)-trione;L2S5E3NBIH;DTXSID90891803;BREVIANAMIDE A, (+)-;Spiro(5H,6H-5a,9a-(iminomethano)-1H-cyclopent(f)indolizine-7(8H),2'-(2H)indole)-3',5,10(1'H)-trione, 2,3,8a,9-tetrahydro-8,8-dimethyl- (VAN);Q63409794;SPIRO(5H,6H-5A,9A-(IMINOMETHANO)-1H-CYCLOPENT(F)INDOLIZINE-7(8H),2'-INDOLINE)-3',5,10-TRIONE, 2,3,8A,9-TETRAHYDRO-8,8-DIMETHYL-;BREVIANAMID A;SPIRO(5H,6H-5A,9A-(IMINOMETHANO)-1H-CYCLOPENT(F)INDOLIZINE-7(8H),2'-(2H)INDOLE)-3',5,10(1'H)-TRIONE, 2,3,8A,9-TETRAHYDRO-8,8-DIMETHYL-, (2'R,5AR,8AS,9AR)-;23402-09-7;NS00094877;(2'R,5AR,8AS,9AR)-2,3,8A,9-TETRAHYDRO-8,8-DIMETHYLSPIRO(5H,6H-5A,9A-(IMINOMETHANO)-1H-CYCLOPENT(F)INDOLIZINE-7(8H),2'-(2H)INDOLE)-3',5,10(1'H)-TRIONE;(1'R,2R,7'R,9'S)-10',10'-dimethylspiro[1H-indole-2,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2',3,14'-trione;UNII-L2S5E3NBIH;(-)-Brevianamide A;Brevianamide B;NSC-784315;NSC 208423;Spiro[5H,9a-(iminomethano)-1H-cyclopent[f]indolizine-7(8H),2'-[2H]indole]-3',5,10(1'H)-trione, 2,3,8a,9-tetrahydro-8,8-dimethyl- (VA;MWOFPQAPILIIPR-UHFFFAOYSA-N;4',4'-dimethyl-1,3-dihydro-9',14'-diazaspiro[indole-2,5'-tetracyclo[5.5.2.0^{1,9}.0^{3,7}]tetradecane]-3,8',13'-trione;10',10'-dimethylspiro[1H-indole-2,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2',3,14'-trione;CHEBI:200715;Spiro[5H,6H-5a,9a-(iminomethano)-1H-cyclopent[f]indolizine-7(8H),2'-[2H]indole]-3',5,10(1'H)-trione, 2,3,8a,9-tetrahydro-8,8-dimethyl-;

标识符

InChIKey:
MWOFPQAPILIIPR-DJJZHVJBSA-N
Inchi:
1S/C21H23N3O3/c1-18(2)14-10-19-8-5-9-24(19)17(27)20(14,23-16(19)26)11-21(18)15(25)12-6-3-4-7-13(12)22-21/h3-4,6-7,14,22H,5,8-11H2,1-2H3,(H,23,26)/t14-,19+,20+,21-/m0/s1
SMILES:
O=C1[C@@]23C[C@]4(C(C5C=CC=CC=5N4)=O)C(C)(C)[C@@H]2C[C@@]2(C(N3)=O)CCCN21

螺[5H,6H-5a,9a-(亚氨基甲烷)-1H-环戊[f]吲哚-7(8H),2’-[2H]吲哚-3’,5,10(1'H)-三酮,2,3,8a,9-四氢-8,8-二甲基-(2'R,5aR,8aS,9aR)-(23402-09-7)物化性质

实验特性

  • LogP : 2.11790
  • PSA : 78.51000

计算特性

  • 精确分子量 : 365.17400
  • 氢键供体数量 : 2
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 0
  • 同位素质量 : 365.17394160g/mol
  • 重原子数量 : 27
  • 复杂度 : 794
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 4
  • 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) : 1.9
  • 拓扑分子极性表面积 : 78.5Ų

螺[5H,6H-5a,9a-(亚氨基甲烷)-1H-环戊[f]吲哚-7(8H),2’-[2H]吲哚-3’,5,10(1'H)-三酮,2,3,8a,9-四氢-8,8-二甲基-(2'R,5aR,8aS,9aR)-(23402-09-7)相关文献