6-[[5-Methyl-3-(6-methyl-3-pyridinyl)-4-isoxazolyl]methoxy]-N-(tetrahydro-2H-...
C21H23N5O4
2230009-48-8 Copyright (C) 2025 ACS
 30 33  0  0  0  0  0  0  0  0999 V2000
    4.8456    3.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1792    2.5622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4954    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8242    9.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8479    4.8722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5141    7.1823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0745    2.0441    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <cas.rn>
2230009-48-8

> <ca.index.name>
3-Pyridazinecarboxamide, 6-[[5-methyl-3-(6-methyl-3-pyridinyl)-4-isoxazolyl]methoxy]-N-(tetrahydro-2H-pyran-4-yl)-

> <molecular.formula>
C21H23N5O4

> <smiles.canonical>
O=C(NC1CCOCC1)C2=NN=C(OCC=3C(=NOC3C)C=4C=NC(=CC4)C)C=C2

> <molecular.weight>
409.44

> <boiling.point.predicted>
722.126±60.00 °C    Press: 760.00 Torr

> <density.predicted>
1.334±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
12.305±0.20    Most Acidic Temp: 25 °C

$$$$
