(3R)-3-[Cyclopropyl[[[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]amino]carbo...
C18H22F4N4O3
2837993-05-0 Copyright (C) 2025 ACS
 29 31  0  0  1  0  0  0  0  0999 V2000
    6.6685    3.0801    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    3.0801    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    0.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    4.6201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3372    0.7700    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.0045    5.3901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3383    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6720    5.3901    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.6720    3.8501    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   17.3383    3.0801    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    2.3101    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0012    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    2.3101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4385    5.9538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8985    5.9538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0035    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3372    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0035    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6708    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3372    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6708    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
 15  1  1  6  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 18  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
> <cas.rn>
2837993-05-0

> <cas.index.name>
1-Piperidinecarboxamide, 3-[cyclopropyl[[[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]amino]carbonyl]amino]-, (3R)-

> <molecular.formula>
C18H22F4N4O3

> <molecular.weight>
418.39

> <density.predicted>
1.424±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
13.022±0.46    Most Acidic Temp: 25 °C

$$$$
