N-[2-[2-[2-[4-[4-[[5-Chloro-4-[[2-[(1-methylethyl)sulfonyl]phenyl]amino]-2-py...
C44H51ClN10O9S
2250025-88-6 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  65 71 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.6422 6.5893 0.0 0
M  V30 2 N 7.5993 9.2402 0.0 0
M  V30 3 C 8.9330 10.0102 0.0 0
M  V30 4 C 10.2668 9.2402 0.0 0
M  V30 5 N 11.6005 10.0102 0.0 0
M  V30 6 O 10.2668 7.7002 0.0 0
M  V30 7 C 12.9341 9.2402 0.0 0
M  V30 8 C 14.2678 10.0102 0.0 0
M  V30 9 O 15.6016 9.2402 0.0 0
M  V30 10 C 16.9353 10.0102 0.0 0
M  V30 11 C 18.2690 9.2402 0.0 0
M  V30 12 O 19.6026 10.0102 0.0 0
M  V30 13 C 20.9364 9.2402 0.0 0
M  V30 14 C 22.2701 10.0102 0.0 0
M  V30 15 O 0.9473 9.3000 0.0 0
M  V30 16 O 0.0000 7.5728 0.0 0
M  V30 17 O 0.0000 2.2380 0.0 0
M  V30 18 N 31.6061 4.6201 0.0 0
M  V30 19 N 36.9409 4.6201 0.0 0
M  V30 20 Cl 36.9409 7.7002 0.0 0
M  V30 21 S 39.6083 3.0801 0.0 0 VAL=6
M  V30 22 C 40.9419 3.8501 0.0 0
M  V30 23 O 38.8383 4.4137 0.0 0
M  V30 24 O 40.3783 1.7464 0.0 0
M  V30 25 C 40.9419 5.3901 0.0 0
M  V30 26 C 42.2758 3.0801 0.0 0
M  V30 27 C 4.9320 9.2402 0.0 0
M  V30 28 C 3.5981 10.0102 0.0 0
M  V30 29 C 4.6116 7.7339 0.0 0
M  V30 30 C 6.2656 10.0102 0.0 0
M  V30 31 C 2.4537 8.9798 0.0 0
M  V30 32 C 3.5981 11.5503 0.0 0
M  V30 33 N 3.0801 7.5728 0.0 0
M  V30 34 C 6.2656 11.5503 0.0 0
M  V30 35 C 4.9320 12.3203 0.0 0
M  V30 36 C 2.3101 6.2391 0.0 0
M  V30 37 C 0.7700 6.2391 0.0 0
M  V30 38 C 3.0801 4.9055 0.0 0
M  V30 39 N 0.0000 4.9055 0.0 0
M  V30 40 C 2.3101 3.5716 0.0 0
M  V30 41 C 0.7700 3.5716 0.0 0
M  V30 42 N 23.6038 9.2402 0.0 0
M  V30 43 C 24.9375 10.0102 0.0 0
M  V30 44 C 23.6038 7.7002 0.0 0
M  V30 45 C 26.2713 9.2402 0.0 0
M  V30 46 C 24.9375 6.9302 0.0 0
M  V30 47 N 26.2713 7.7002 0.0 0
M  V30 48 C 27.6049 6.9302 0.0 0
M  V30 49 C 28.9386 7.7002 0.0 0
M  V30 50 C 27.6049 5.3901 0.0 0
M  V30 51 C 30.2723 6.9302 0.0 0
M  V30 52 C 28.9386 4.6201 0.0 0
M  V30 53 C 30.2723 5.3901 0.0 0
M  V30 54 C 32.9398 5.3901 0.0 0
M  V30 55 N 34.2734 4.6201 0.0 0
M  V30 56 N 32.9398 6.9302 0.0 0
M  V30 57 C 35.6071 5.3901 0.0 0
M  V30 58 C 34.2734 7.7002 0.0 0
M  V30 59 C 35.6071 6.9302 0.0 0
M  V30 60 C 36.9409 3.0801 0.0 0
M  V30 61 C 38.2746 2.3101 0.0 0
M  V30 62 C 35.6071 2.3101 0.0 0
M  V30 63 C 38.2746 0.7700 0.0 0
M  V30 64 C 35.6071 0.7700 0.0 0
M  V30 65 C 36.9409 0.0000 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 29
M  V30 2 1 2 3
M  V30 3 1 2 30
M  V30 4 1 3 4
M  V30 5 1 4 5
M  V30 6 2 4 6
M  V30 7 1 5 7
M  V30 8 1 7 8
M  V30 9 1 8 9
M  V30 10 1 9 10
M  V30 11 1 10 11
M  V30 12 1 11 12
M  V30 13 1 12 13
M  V30 14 1 13 14
M  V30 15 1 14 42
M  V30 16 2 15 31
M  V30 17 2 16 37
M  V30 18 2 17 41
M  V30 19 1 18 53
M  V30 20 1 18 54
M  V30 21 1 19 57
M  V30 22 1 19 60
M  V30 23 1 20 59
M  V30 24 1 21 22
M  V30 25 2 21 23
M  V30 26 2 21 24
M  V30 27 1 21 61
M  V30 28 1 22 25
M  V30 29 1 22 26
M  V30 30 1 27 28
M  V30 31 1 27 29
M  V30 32 2 27 30
M  V30 33 1 28 31
M  V30 34 2 28 32
M  V30 35 1 29 33
M  V30 36 1 30 34
M  V30 37 1 31 33
M  V30 38 1 32 35
M  V30 39 1 33 36
M  V30 40 2 34 35
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 2 54 56
M  V30 62 2 55 57
M  V30 63 1 56 58
M  V30 64 1 57 59
M  V30 65 2 58 59
M  V30 66 2 60 61
M  V30 67 1 60 62
M  V30 68 1 61 63
M  V30 69 2 62 64
M  V30 70 2 63 65
M  V30 71 1 64 65
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
2250025-88-6

> <cas.index.name>
Acetamide, N-[2-[2-[2-[4-[4-[[5-chloro-4-[[2-[(1-methylethyl)sulfonyl]phenyl]amino]-2-pyrimidinyl]amino]phenyl]-1-piperazinyl]ethoxy]ethoxy]ethyl]-2-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]amino]-

> <molecular.formula>
C44H51ClN10O9S

> <molecular.weight>
931.46

> <density.predicted>
1.411±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
10.73±0.40    Most Acidic Temp: 25 °C

$$$$
