N-[[[[(4S)-3-(4-Chlorophenyl)-4,5-dihydro-4-phenyl-1H-pyrazol-1-yl][[[4-(trif...
C26H22ClF3N6O3S
2712480-46-9 Copyright (C) 2024 ACS
 40 43  0  0  1  0  0  0  0  0999 V2000
    8.8935    6.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8935    4.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2036    9.5420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2036    6.4620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6635    2.6673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3535    4.0009    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8935    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6635    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3535    1.3336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.0591    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   17.3636    8.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3636    6.4620    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.9036    8.0020    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   17.3636    9.5420    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4483    5.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3535    6.6684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2460    3.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7436    8.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5136    6.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0536    9.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8236    8.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  3  0  0  0
  1 22  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  2  0  0  0  0
  4 35  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  8 10  1  0  0  0  0
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 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 23  1  0  0  0  0
 19 21  1  0  0  0  0
 19 29  1  6  0  0  0
 20 22  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  2  0  0  0  0
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 30 32  1  0  0  0  0
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M  END
> <cas.rn>
2712480-46-9

> <cas.index.name>
Acetamide, N-[[[[(4S)-3-(4-chlorophenyl)-4,5-dihydro-4-phenyl-1H-pyrazol-1-yl][[[4-(trifluoromethyl)phenyl]sulfonyl]amino]methylene]amino]iminomethyl]-

> <molecular.formula>
C26H22ClF3N6O3S

> <molecular.weight>
591.01

> <density.predicted>
1.46±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
8.98±0.60    Most Acidic Temp: 25 °C

$$$$
