2,4(1H,3H)-Pyrimidinedione, 1-[[5-(2,4-difluoro-3-hydroxyphenyl)-1,3,4-thiadi...
C16H14F2N4O3S
2894848-07-6 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  26 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 F 12.2499 0.8402 0.0 0
M  V30 2 C 6.6686 4.6200 0.0 0
M  V30 3 O 15.3131 1.1621 0.0 0
M  V30 4 F 16.5660 3.9759 0.0 0
M  V30 5 O 4.0011 6.1601 0.0 0
M  V30 6 C 1.3338 4.6200 0.0 0
M  V30 7 C 0.0000 3.8500 0.0 0
M  V30 8 C 4.0011 0.0000 0.0 0
M  V30 9 O 1.3338 1.5400 0.0 0
M  V30 10 C 10.4396 3.3320 0.0 0
M  V30 11 S 9.4090 4.4764 0.0 0
M  V30 12 N 9.6696 1.9983 0.0 0
M  V30 13 C 8.0022 3.8500 0.0 0
M  V30 14 N 8.1632 2.3185 0.0 0
M  V30 15 C 11.9712 3.4929 0.0 0
M  V30 16 C 12.8764 2.2470 0.0 0
M  V30 17 C 12.5975 4.8999 0.0 0
M  V30 18 C 14.4079 2.4080 0.0 0
M  V30 19 C 14.1292 5.0608 0.0 0
M  V30 20 C 15.0343 3.8149 0.0 0
M  V30 21 N 5.3348 3.8500 0.0 0
M  V30 22 C 4.0011 4.6200 0.0 0
M  V30 23 C 5.3348 2.3100 0.0 0
M  V30 24 N 2.6675 3.8500 0.0 0
M  V30 25 C 4.0011 1.5400 0.0 0
M  V30 26 C 2.6675 2.3100 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 16
M  V30 2 1 2 13
M  V30 3 1 2 21
M  V30 4 1 3 18
M  V30 5 1 4 20
M  V30 6 2 5 22
M  V30 7 1 6 7
M  V30 8 1 6 24
M  V30 9 1 8 25
M  V30 10 2 9 26
M  V30 11 1 10 11
M  V30 12 2 10 12
M  V30 13 1 10 15
M  V30 14 1 11 13
M  V30 15 1 12 14
M  V30 16 2 13 14
M  V30 17 2 15 16
M  V30 18 1 15 17
M  V30 19 1 16 18
M  V30 20 2 17 19
M  V30 21 2 18 20
M  V30 22 1 19 20
M  V30 23 1 21 22
M  V30 24 1 21 23
M  V30 25 1 22 24
M  V30 26 2 23 25
M  V30 27 1 24 26
M  V30 28 1 25 26
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
2894848-07-6

> <cas.index.name>
2,4(1H,3H)-Pyrimidinedione, 1-[[5-(2,4-difluoro-3-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]methyl]-3-ethyl-5-methyl-

> <molecular.formula>
C16H14F2N4O3S

> <molecular.weight>
380.37

> <boiling.point.predicted>
523.3±60.0 °C    Press: 760 Torr

> <density.predicted>
1.481±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
6.38±0.15    Most Acidic Temp: 25 °C

$$$$
