(2R)-4-[2-[4-[3-[4-Cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thio...
C41H45F3N8O5S
2446928-30-7 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  58 63 0 0 1
M  V30 BEGIN ATOM
M  V30 1 S 8.3681 3.2573 0.0 0
M  V30 2 O 7.8015 8.6487 0.0 0
M  V30 3 C 11.4743 6.9216 0.0 0
M  V30 4 C 10.0952 8.4531 0.0 0
M  V30 5 C 2.7843 8.0780 0.0 0
M  V30 6 F 1.5385 7.1727 0.0 0
M  V30 7 F 1.8791 9.3238 0.0 0
M  V30 8 F 4.0302 8.9832 0.0 0
M  V30 9 C 1.5315 5.2642 0.0 0
M  V30 10 N 0.0000 5.1033 0.0 0
M  V30 11 C 12.7625 0.7700 0.0 0
M  V30 12 C 11.4289 0.0000 0.0 0
M  V30 13 O 15.4300 2.3100 0.0 0
M  V30 14 C 16.7636 3.0800 0.0 0
M  V30 15 C 18.0972 2.3100 0.0 0
M  V30 16 C 20.7647 6.9300 0.0 0
M  V30 17 C 23.4320 5.3900 0.0 0
M  V30 18 C 24.7658 4.6200 0.0 0
M  V30 19 N 26.0994 5.3900 0.0 0
M  V30 20 O 24.7658 3.0800 0.0 0
M  V30 21 N 31.4342 5.3900 0.0 0
M  V30 22 O 34.1015 6.9300 0.0 0
M  V30 23 O 36.7689 2.3100 0.0 0
M  V30 24 N 7.6578 5.9081 0.0 0
M  V30 25 C 8.6883 4.7637 0.0 0
M  V30 26 C 8.4278 7.2417 0.0 0
M  V30 27 N 10.0952 5.3900 0.0 0
M  V30 28 C 9.9343 6.9216 0.0 0
M  V30 29 C 6.1263 5.7472 0.0 0
M  V30 30 C 5.2211 6.9930 0.0 0
M  V30 31 C 5.5000 4.3402 0.0 0
M  V30 32 C 3.6896 6.8321 0.0 0
M  V30 33 C 3.9683 4.1793 0.0 0
M  V30 34 C 3.0631 5.4251 0.0 0
M  V30 35 C 11.4289 4.6200 0.0 0
M  V30 36 C 11.4289 3.0800 0.0 0
M  V30 37 C 12.7625 5.3900 0.0 0
M  V30 38 C 12.7625 2.3100 0.0 0
M  V30 39 C 14.0963 4.6200 0.0 0
M  V30 40 C 14.0963 3.0800 0.0 0
M  V30 41 N 19.4310 3.0800 0.0 0
M  V30 42 C 19.4310 4.6200 0.0 0
M  V30 43 C 20.7647 2.3100 0.0 0
M  V30 44 C 20.7647 5.3900 0.0 0 CFG=1
M  V30 45 C 22.0983 3.0800 0.0 0
M  V30 46 N 22.0983 4.6200 0.0 0
M  V30 47 C 27.4331 4.6200 0.0 0
M  V30 48 C 28.7667 5.3900 0.0 0
M  V30 49 C 27.4331 3.0800 0.0 0
M  V30 50 C 30.1005 4.6200 0.0 0
M  V30 51 C 28.7667 2.3100 0.0 0
M  V30 52 C 30.1005 3.0800 0.0 0
M  V30 53 C 32.7678 4.6200 0.0 0 CFG=3
M  V30 54 C 34.1015 5.3900 0.0 0
M  V30 55 C 32.7678 3.0800 0.0 0
M  V30 56 N 35.4353 4.6200 0.0 0
M  V30 57 C 34.1015 2.3100 0.0 0
M  V30 58 C 35.4353 3.0800 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 25
M  V30 2 2 2 26
M  V30 3 1 3 28
M  V30 4 1 4 28
M  V30 5 1 5 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 5 32
M  V30 9 3 9 10
M  V30 10 1 9 34
M  V30 11 1 11 12
M  V30 12 1 11 38
M  V30 13 1 13 14
M  V30 14 1 13 40
M  V30 15 1 14 15
M  V30 16 1 15 41
M  V30 17 1 44 16 CFG=1
M  V30 18 1 17 18
M  V30 19 1 17 46
M  V30 20 1 18 19
M  V30 21 2 18 20
M  V30 22 1 19 47
M  V30 23 1 21 50
M  V30 24 1 21 53
M  V30 25 2 22 54
M  V30 26 2 23 58
M  V30 27 1 24 25
M  V30 28 1 24 26
M  V30 29 1 24 29
M  V30 30 1 25 27
M  V30 31 1 26 28
M  V30 32 1 27 28
M  V30 33 1 27 35
M  V30 34 2 29 30
M  V30 35 1 29 31
M  V30 36 1 30 32
M  V30 37 2 31 33
M  V30 38 2 32 34
M  V30 39 1 33 34
M  V30 40 2 35 36
M  V30 41 1 35 37
M  V30 42 1 36 38
M  V30 43 2 37 39
M  V30 44 2 38 40
M  V30 45 1 39 40
M  V30 46 1 41 42
M  V30 47 1 41 43
M  V30 48 1 42 44
M  V30 49 1 43 45
M  V30 50 1 44 46
M  V30 51 1 45 46
M  V30 52 2 47 48
M  V30 53 1 47 49
M  V30 54 1 48 50
M  V30 55 2 49 51
M  V30 56 2 50 52
M  V30 57 1 51 52
M  V30 58 1 53 54
M  V30 59 1 53 55
M  V30 60 1 54 56
M  V30 61 1 55 57
M  V30 62 1 56 58
M  V30 63 1 57 58
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 44)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
2446928-30-7

> <cas.index.name>
1-Piperazineacetamide, 4-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxo-1-imidazolidinyl]-2-ethylphenoxy]ethyl]-N-[3-[(2,6-dioxo-3-piperidinyl)amino]phenyl]-2-methyl-, (2R)-

> <molecular.formula>
C41H45F3N8O5S

> <molecular.weight>
818.91

> <density.predicted>
1.41±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
11.06±0.40    Most Acidic Temp: 25 °C

$$$$
