1-[3,5-Dimethyl-4-[2-[[4-oxo-2-[4-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro...
C29H32F3N5O6S
1613373-33-3 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  44 48 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 14.9888 10.5144 0.0 0
M  V30 2 S 11.9711 5.6422 0.0 0 VAL=6
M  V30 3 C 10.6375 4.8722 0.0 0
M  V30 4 O 11.2011 6.9759 0.0 0
M  V30 5 O 12.7412 4.3086 0.0 0
M  V30 6 C 9.3037 5.6422 0.0 0
M  V30 7 O 24.5360 7.8265 0.0 0
M  V30 8 C 25.4412 9.0723 0.0 0
M  V30 9 F 26.9728 8.9114 0.0 0
M  V30 10 F 26.3464 10.3182 0.0 0
M  V30 11 F 24.8149 10.4793 0.0 0
M  V30 12 C 6.6363 7.1823 0.0 0
M  V30 13 C 9.3037 2.5622 0.0 0
M  V30 14 C 1.3161 4.0937 0.0 0
M  V30 15 C 3.3320 4.5223 0.0 0
M  V30 16 O 4.9524 0.0000 0.0 0
M  V30 17 O 0.0000 2.2050 0.0 0
M  V30 18 C 15.9723 7.9523 0.0 0
M  V30 19 N 17.3791 7.3259 0.0 0
M  V30 20 C 16.1332 9.4838 0.0 0
M  V30 21 C 14.6386 8.7223 0.0 0
M  V30 22 C 15.9723 6.4122 0.0 0
M  V30 23 C 18.4097 8.4703 0.0 0
M  V30 24 N 17.6397 9.8040 0.0 0
M  V30 25 C 13.3048 7.9523 0.0 0
M  V30 26 C 14.6386 5.6422 0.0 0
M  V30 27 N 13.3048 6.4122 0.0 0
M  V30 28 C 19.9413 8.3094 0.0 0
M  V30 29 C 20.8465 9.5553 0.0 0
M  V30 30 C 20.5676 6.9024 0.0 0
M  V30 31 C 22.3781 9.3944 0.0 0
M  V30 32 C 22.0992 6.7415 0.0 0
M  V30 33 C 23.0044 7.9874 0.0 0
M  V30 34 C 7.9700 4.8722 0.0 0
M  V30 35 C 6.6363 5.6422 0.0 0
M  V30 36 C 7.9700 3.3322 0.0 0
M  V30 37 C 5.3026 4.8722 0.0 0
M  V30 38 C 6.6363 2.5622 0.0 0
M  V30 39 C 5.3026 3.3322 0.0 0
M  V30 40 N 3.9688 2.5622 0.0 0
M  V30 41 C 2.5620 3.1885 0.0 0
M  V30 42 C 3.8079 1.0306 0.0 0
M  V30 43 C 1.5316 2.0441 0.0 0
M  V30 44 N 2.3016 0.7104 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 20
M  V30 2 1 2 3
M  V30 3 2 2 4
M  V30 4 2 2 5
M  V30 5 1 2 27
M  V30 6 1 3 6
M  V30 7 1 6 34
M  V30 8 1 7 8
M  V30 9 1 7 33
M  V30 10 1 8 9
M  V30 11 1 8 10
M  V30 12 1 8 11
M  V30 13 1 12 35
M  V30 14 1 13 36
M  V30 15 1 14 41
M  V30 16 1 15 41
M  V30 17 2 16 42
M  V30 18 2 17 43
M  V30 19 1 18 19
M  V30 20 1 18 20
M  V30 21 1 18 21
M  V30 22 1 18 22
M  V30 23 1 19 23
M  V30 24 1 20 24
M  V30 25 1 21 25
M  V30 26 1 22 26
M  V30 27 2 23 24
M  V30 28 1 23 28
M  V30 29 1 25 27
M  V30 30 1 26 27
M  V30 31 2 28 29
M  V30 32 1 28 30
M  V30 33 1 29 31
M  V30 34 2 30 32
M  V30 35 2 31 33
M  V30 36 1 32 33
M  V30 37 2 34 35
M  V30 38 1 34 36
M  V30 39 1 35 37
M  V30 40 2 36 38
M  V30 41 2 37 39
M  V30 42 1 38 39
M  V30 43 1 39 40
M  V30 44 1 40 41
M  V30 45 1 40 42
M  V30 46 1 41 43
M  V30 47 1 42 44
M  V30 48 1 43 44
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
1613373-33-3

> <cas.index.name>
2,4-Imidazolidinedione, 1-[3,5-dimethyl-4-[2-[[4-oxo-2-[4-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-5,5-dimethyl-

> <molecular.formula>
C29H32F3N5O6S

> <molecular.weight>
635.66

> <density.predicted>
1.47±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
8.39±0.10    Most Acidic Temp: 25 °C

$$$$
