ethyl 6-(4-aMinophenyl)-1-(4-Methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate
化学名:ethyl 6-(4-aMinophenyl)-1-(4-Methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate
CAS番号.503615-07-4
英語名:ethyl 6-(4-aMinophenyl)-1-(4-Methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate
CBNumberCB82623113
MFC22H22N4O4
MW406.43
MOL File503615-07-4.mol
ethyl 6-(4-aMinophenyl)-1-(4-Methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate物理性質
沸点 | 651.6±55.0 °C(Predicted) |
比重(密度) | 1.34±0.1 g/cm3 (20 ºC 760 Torr) |
貯蔵温度 | Keep in dark place,Inert atmosphere,Store in freezer, under -20°C |
溶解性 | クロロホルム(微量)、DMF(微量) |
酸解離定数(Pka) | 4.66±0.10(Predicted) |
外見 | 個体 |
色 | ホワイトからオフホワイト |
InChI | InChI=1S/C22H22N4O4/c1-3-30-22(28)19-18-12-13-25(15-6-4-14(23)5-7-15)21(27)20(18)26(24-19)16-8-10-17(29-2)11-9-16/h4-11H,3,12-13,23H2,1-2H3 |
InChIKey | UVAQGQOGOJLALA-UHFFFAOYSA-N |
SMILES | C1(=O)N(C2=CC=C(N)C=C2)CCC2C(C(OCC)=O)=NN(C3=CC=C(OC)C=C3)C1=2 |