4-[4-[[1-[4-[[[trans-3-(4-Cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobut...
C45H54FN7O6
2750830-09-0 Copyright (C) 2023 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  59 65 0 0 1
M  V30 BEGIN ATOM
M  V30 1 O 6.6684 7.2491 0.0 0
M  V30 2 C 8.7993 3.5040 0.0 0
M  V30 3 C 6.9131 4.5929 0.0 0
M  V30 4 C 9.0910 8.3652 0.0 0
M  V30 5 C 10.9772 7.2762 0.0 0
M  V30 6 N 11.2219 4.6200 0.0 0
M  V30 7 C 12.5555 5.3900 0.0 0
M  V30 8 O 12.5555 6.9300 0.0 0
M  V30 9 O 1.3336 7.2491 0.0 0
M  V30 10 C 1.3336 8.7891 0.0 0
M  V30 11 C 1.3336 4.1691 0.0 0
M  V30 12 N 0.0000 3.3991 0.0 0
M  V30 13 C 21.8913 0.0000 0.0 0
M  V30 14 F 28.5597 6.9300 0.0 0
M  V30 15 C 31.2272 5.3900 0.0 0
M  V30 16 N 32.5608 4.6200 0.0 0
M  V30 17 O 31.2272 6.9300 0.0 0
M  V30 18 O 35.2283 3.0800 0.0 0
M  V30 19 O 37.8956 7.7000 0.0 0
M  V30 20 C 8.0020 6.4791 0.0 0 CFG=2
M  V30 21 C 8.4007 4.9915 0.0 0
M  V30 22 C 9.4897 6.8777 0.0 0
M  V30 23 C 9.8882 5.3900 0.0 0 CFG=2
M  V30 24 C 5.3347 6.4791 0.0 0
M  V30 25 C 4.0011 7.2491 0.0 0
M  V30 26 C 5.3347 4.9391 0.0 0
M  V30 27 C 2.6673 6.4791 0.0 0
M  V30 28 C 4.0011 4.1691 0.0 0
M  V30 29 C 2.6673 4.9391 0.0 0
M  V30 30 C 13.8893 4.6200 0.0 0
M  V30 31 C 13.8893 3.0800 0.0 0
M  V30 32 C 15.2230 5.3900 0.0 0
M  V30 33 C 15.2230 2.3100 0.0 0
M  V30 34 C 16.5566 4.6200 0.0 0
M  V30 35 C 16.5566 3.0800 0.0 0
M  V30 36 N 17.8903 2.3100 0.0 0
M  V30 37 C 19.2241 3.0800 0.0 0
M  V30 38 C 17.8903 0.7700 0.0 0
M  V30 39 C 20.5577 2.3100 0.0 0
M  V30 40 C 19.2241 0.0000 0.0 0
M  V30 41 C 20.5577 0.7700 0.0 0
M  V30 42 N 23.2250 0.7700 0.0 0
M  V30 43 C 24.5588 0.0000 0.0 0
M  V30 44 C 23.2250 2.3100 0.0 0
M  V30 45 C 25.8924 0.7700 0.0 0
M  V30 46 C 24.5588 3.0800 0.0 0
M  V30 47 N 25.8924 2.3100 0.0 0
M  V30 48 C 27.2261 3.0800 0.0 0
M  V30 49 C 27.2261 4.6200 0.0 0
M  V30 50 C 28.5597 2.3100 0.0 0
M  V30 51 C 28.5597 5.3900 0.0 0
M  V30 52 C 29.8935 3.0800 0.0 0
M  V30 53 C 29.8935 4.6200 0.0 0
M  V30 54 C 33.8945 5.3900 0.0 0 CFG=1
M  V30 55 C 35.2283 4.6200 0.0 0
M  V30 56 C 33.8945 6.9300 0.0 0
M  V30 57 N 36.5619 5.3900 0.0 0
M  V30 58 C 35.2283 7.7000 0.0 0
M  V30 59 C 36.5619 6.9300 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 20 1 CFG=3
M  V30 2 1 1 24
M  V30 3 1 2 21
M  V30 4 1 3 21
M  V30 5 1 4 22
M  V30 6 1 5 22
M  V30 7 1 6 7
M  V30 8 1 23 6 CFG=1
M  V30 9 2 7 8
M  V30 10 1 7 30
M  V30 11 1 9 10
M  V30 12 1 9 27
M  V30 13 3 11 12
M  V30 14 1 11 29
M  V30 15 1 13 41
M  V30 16 1 13 42
M  V30 17 1 14 51
M  V30 18 1 15 16
M  V30 19 2 15 17
M  V30 20 1 15 53
M  V30 21 1 54 16 CFG=1
M  V30 22 2 18 55
M  V30 23 2 19 59
M  V30 24 1 20 21
M  V30 25 1 20 22
M  V30 26 1 21 23
M  V30 27 1 22 23
M  V30 28 2 24 25
M  V30 29 1 24 26
M  V30 30 1 25 27
M  V30 31 2 26 28
M  V30 32 2 27 29
M  V30 33 1 28 29
M  V30 34 2 30 31
M  V30 35 1 30 32
M  V30 36 1 31 33
M  V30 37 2 32 34
M  V30 38 2 33 35
M  V30 39 1 34 35
M  V30 40 1 35 36
M  V30 41 1 36 37
M  V30 42 1 36 38
M  V30 43 1 37 39
M  V30 44 1 38 40
M  V30 45 1 39 41
M  V30 46 1 40 41
M  V30 47 1 42 43
M  V30 48 1 42 44
M  V30 49 1 43 45
M  V30 50 1 44 46
M  V30 51 1 45 47
M  V30 52 1 46 47
M  V30 53 1 47 48
M  V30 54 2 48 49
M  V30 55 1 48 50
M  V30 56 1 49 51
M  V30 57 2 50 52
M  V30 58 2 51 53
M  V30 59 1 52 53
M  V30 60 1 54 55
M  V30 61 1 54 56
M  V30 62 1 55 57
M  V30 63 1 56 58
M  V30 64 1 57 59
M  V30 65 1 58 59
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(3 20 23 54)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
2750830-09-0

> <cas.index.name>
Benzamide, 4-[4-[[1-[4-[[[trans-3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]amino]carbonyl]phenyl]-4-piperidinyl]methyl]-1-piperazinyl]-N-[(3S)-2,6-dioxo-3-piperidinyl]-2-fluoro-

> <molecular.formula>
C45H54FN7O6

> <molecular.weight>
807.95

> <boiling.point.predicted>
993.4±65.0 °C    Press: 760 Torr

> <density.predicted>
1.32±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
10.58±0.40    Most Acidic Temp: 25 °C

$$$$
