890090-42-3 ((5,6-Diamino-3',6'-bis(diethylamino)-3H-spiroisobenzofuran-1,9'-xanthen-3-one)

CAS号:
890090-42-3
英文名称:
5,6-Diamino-3',6'-bis(diethylamino)-3H-spiroisobenzofuran-1,9'-xanthen-3-one
分子式:
C28H32N4O3
分子量:
472.578686714172

5,6-Diamino-3',6'-bis(diethylamino)-3H-spiroisobenzofuran-1,9'-xanthen-3-one(890090-42-3)名称与标识符

名称

英文别名:
5,6-diamino-3',6'-bis(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one;5,6-Diamino-3',6'-bis(diethylamino)-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one;

标识符

MDL:
MFCD08276989
InChIKey:
LJSMMWFTVBPRDS-UHFFFAOYSA-N
Inchi:
1S/C28H32N4O3/c1-5-31(6-2)17-9-11-20-25(13-17)34-26-14-18(32(7-3)8-4)10-12-21(26)28(20)22-16-24(30)23(29)15-19(22)27(33)35-28/h9-16H,5-8,29-30H2,1-4H3
SMILES:
O1C2(C3=C(C=C(N(CC)CC)C=C3)OC3=C2C=CC(N(CC)CC)=C3)C2=CC(N)=C(N)C=C2C1=O

5,6-Diamino-3',6'-bis(diethylamino)-3H-spiroisobenzofuran-1,9'-xanthen-3-one(890090-42-3)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 : 6
  • 重原子数量 : 35

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