5-[2-(Diethylamino)ethyl]-2-[(Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylide...
C23H27FN4O2
1044040-56-3 Copyright (C) 2025 ACS
 30 33  0  0  0  0  0  0  0  0999 V2000
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   10.5492    6.9108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9670    3.7598    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <cas.rn>
1044040-56-3

> <ca.index.name>
4H-Pyrrolo[3,2-c]pyridin-4-one, 5-[2-(diethylamino)ethyl]-2-[(Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-1,5,6,7-tetrahydro-3-methyl-

> <molecular.formula>
C23H27FN4O2

> <smiles.canonical>
O=C1NC2=CC=C(F)C=C2C1=CC=3NC4=C(C(=O)N(CC4)CCN(CC)CC)C3C

> <smiles.isomeric>
C(=C\1/C=2C(NC1=O)=CC=C(F)C2)\C3=C(C)C4=C(N3)CCN(CCN(CC)CC)C4=O

> <molecular.weight>
410.49

> <boiling.point.predicted>
677.071±55.00 °C    Press: 760.00 Torr

> <density.predicted>
1.271±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
11.731±0.20    Most Acidic Temp: 25 °C

$$$$
