N-[2-Chloro-3-[(3,4-dihydro-3,5-dimethyl-4-oxo-6-quinazolinyl)amino]-4-fluoro...
C19H19ClF2N4O3S
2573781-75-4 Copyright (C) 2024 ACS
 30 32  0  0  0  0  0  0  0  0999 V2000
    5.3348    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    1.5400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    4.6201    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6708    2.3101    0.0000 S   0  0  0  0  0  6  0  0  0  0  0  0
   16.0045    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6685    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    2.3101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6697    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3 21  1  0  0  0  0
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  7  8  1  0  0  0  0
  7 28  1  0  0  0  0
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  9 12  1  0  0  0  0
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 22 24  1  0  0  0  0
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 29 30  1  0  0  0  0
M  END
> <cas.rn>
2573781-75-4

> <cas.index.name>
1-Propanesulfonamide, N-[2-chloro-3-[(3,4-dihydro-3,5-dimethyl-4-oxo-6-quinazolinyl)amino]-4-fluorophenyl]-3-fluoro-

> <molecular.formula>
C19H19ClF2N4O3S

> <molecular.weight>
456.90

> <boiling.point.predicted>
569.605±60.00 °C    Press: 760.00 Torr

> <density.predicted>
1.481±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
6.648±0.10    Most Acidic Temp: 25 °C

$$$$
