N-[2-[2-[2-[4-[4-[[5-Chloro-4-[[2-[(1-methylethyl)sulfonyl]phenyl]amino]-2-py...
C49H60ClN9O10S
2229037-19-6 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  70 76 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 36.6336 6.5893 0.0 0
M  V30 2 N 34.6765 9.2402 0.0 0
M  V30 3 C 33.3428 10.0102 0.0 0
M  V30 4 C 32.0090 9.2402 0.0 0
M  V30 5 N 30.6753 10.0102 0.0 0
M  V30 6 O 32.0090 7.7002 0.0 0
M  V30 7 C 29.3416 9.2402 0.0 0
M  V30 8 C 28.0080 10.0102 0.0 0
M  V30 9 O 26.6742 9.2402 0.0 0
M  V30 10 C 25.3405 10.0102 0.0 0
M  V30 11 C 24.0068 9.2402 0.0 0
M  V30 12 O 22.6731 10.0102 0.0 0
M  V30 13 C 21.3393 9.2402 0.0 0
M  V30 14 C 20.0057 10.0102 0.0 0
M  V30 15 O 41.3285 9.3000 0.0 0
M  V30 16 O 42.2758 7.5728 0.0 0
M  V30 17 O 42.2758 2.2380 0.0 0
M  V30 18 C 13.3372 9.2402 0.0 0
M  V30 19 O 13.3372 3.0801 0.0 0
M  V30 20 C 14.6708 2.3101 0.0 0
M  V30 21 C 16.0045 3.0801 0.0 0
M  V30 22 C 14.6708 0.7700 0.0 0
M  V30 23 N 10.6697 4.6201 0.0 0
M  V30 24 N 5.3348 4.6201 0.0 0
M  V30 25 Cl 5.3348 7.7002 0.0 0
M  V30 26 S 2.6675 3.0801 0.0 0 VAL=6
M  V30 27 C 1.3338 3.8501 0.0 0
M  V30 28 O 3.4375 4.4137 0.0 0
M  V30 29 O 1.8975 1.7464 0.0 0
M  V30 30 C 1.3338 5.3901 0.0 0
M  V30 31 C 0.0000 3.0801 0.0 0
M  V30 32 C 37.3438 9.2402 0.0 0
M  V30 33 C 38.6776 10.0102 0.0 0
M  V30 34 C 37.6641 7.7339 0.0 0
M  V30 35 C 36.0101 10.0102 0.0 0
M  V30 36 C 39.8220 8.9798 0.0 0
M  V30 37 C 38.6776 11.5503 0.0 0
M  V30 38 N 39.1957 7.5728 0.0 0
M  V30 39 C 36.0101 11.5503 0.0 0
M  V30 40 C 37.3438 12.3203 0.0 0
M  V30 41 C 39.9657 6.2391 0.0 0
M  V30 42 C 41.5058 6.2391 0.0 0
M  V30 43 C 39.1957 4.9055 0.0 0
M  V30 44 N 42.2758 4.9055 0.0 0
M  V30 45 C 39.9657 3.5716 0.0 0
M  V30 46 C 41.5058 3.5716 0.0 0
M  V30 47 N 18.6720 9.2402 0.0 0
M  V30 48 C 17.3383 10.0102 0.0 0
M  V30 49 C 18.6720 7.7002 0.0 0
M  V30 50 C 16.0045 9.2402 0.0 0
M  V30 51 C 17.3383 6.9302 0.0 0
M  V30 52 C 16.0045 7.7002 0.0 0
M  V30 53 C 14.6708 6.9302 0.0 0
M  V30 54 C 14.6708 5.3901 0.0 0
M  V30 55 C 13.3372 7.7002 0.0 0
M  V30 56 C 13.3372 4.6201 0.0 0
M  V30 57 C 12.0035 6.9302 0.0 0
M  V30 58 C 12.0035 5.3901 0.0 0
M  V30 59 C 9.3360 5.3901 0.0 0
M  V30 60 N 8.0023 4.6201 0.0 0
M  V30 61 N 9.3360 6.9302 0.0 0
M  V30 62 C 6.6687 5.3901 0.0 0
M  V30 63 C 8.0023 7.7002 0.0 0
M  V30 64 C 6.6687 6.9302 0.0 0
M  V30 65 C 5.3348 3.0801 0.0 0
M  V30 66 C 4.0012 2.3101 0.0 0
M  V30 67 C 6.6687 2.3101 0.0 0
M  V30 68 C 4.0012 0.7700 0.0 0
M  V30 69 C 6.6687 0.7700 0.0 0
M  V30 70 C 5.3348 0.0000 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 34
M  V30 2 1 2 3
M  V30 3 1 2 35
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 47
M  V30 16 2 15 36
M  V30 17 2 16 42
M  V30 18 2 17 46
M  V30 19 1 18 55
M  V30 20 1 19 20
M  V30 21 1 19 56
M  V30 22 1 20 21
M  V30 23 1 20 22
M  V30 24 1 23 58
M  V30 25 1 23 59
M  V30 26 1 24 62
M  V30 27 1 24 65
M  V30 28 1 25 64
M  V30 29 1 26 27
M  V30 30 2 26 28
M  V30 31 2 26 29
M  V30 32 1 26 66
M  V30 33 1 27 30
M  V30 34 1 27 31
M  V30 35 1 32 33
M  V30 36 1 32 34
M  V30 37 2 32 35
M  V30 38 1 33 36
M  V30 39 2 33 37
M  V30 40 1 34 38
M  V30 41 1 35 39
M  V30 42 1 36 38
M  V30 43 1 37 40
M  V30 44 1 38 41
M  V30 45 2 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 1 47 48
M  V30 53 1 47 49
M  V30 54 1 48 50
M  V30 55 1 49 51
M  V30 56 1 50 52
M  V30 57 1 51 52
M  V30 58 1 52 53
M  V30 59 2 53 54
M  V30 60 1 53 55
M  V30 61 1 54 56
M  V30 62 2 55 57
M  V30 63 2 56 58
M  V30 64 1 57 58
M  V30 65 1 59 60
M  V30 66 2 59 61
M  V30 67 2 60 62
M  V30 68 1 61 63
M  V30 69 1 62 64
M  V30 70 2 63 64
M  V30 71 2 65 66
M  V30 72 1 65 67
M  V30 73 1 66 68
M  V30 74 2 67 69
M  V30 75 2 68 70
M  V30 76 1 69 70
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
2229037-19-6

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

> <molecular.formula>
C49H60ClN9O10S

> <molecular.weight>
1002.58

> <density.predicted>
1.350±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

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

$$$$
