5,7-Difluoro-2-(4-fluorophenyl)-N-[(3S,4R)-4-hydroxy-2-oxo-3-pyrrolidinyl]-1H...
C21H18F3N3O3
2446816-88-0 Copyright (C) 2024 ACS
 30 33  0  0  1  0  0  0  0  0999 V2000
    6.3103    6.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8456    7.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5254    8.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0607    9.1101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6699    9.6646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3700    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3721    7.5993    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3711    6.8293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7048    7.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0384    6.8293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7405   10.6165    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3337   11.2429    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7711   11.7609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4946   12.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
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  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 25  1  0  0  0  0
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M  END
> <cas.rn>
2446816-88-0

> <cas.index.name>
1H-Indole-3-propanamide, 5,7-difluoro-2-(4-fluorophenyl)-N-[(3S,4R)-4-hydroxy-2-oxo-3-pyrrolidinyl]-

> <molecular.formula>
C21H18F3N3O3

> <molecular.weight>
417.38

> <boiling.point.predicted>
797.593±60.00 °C    Press: 760.00 Torr

> <density.predicted>
1.493±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
13.027±0.40    Most Acidic Temp: 25 °C

$$$$
