1H-Isoindole-1,3(2H)-dione, 4-[[2-[2-[4-[[4-[3-amino-6-(2-hydroxyphenyl)-4-py...
C38H39FN8O7
2951015-29-3 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  54 60 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.6422 4.3513 0.0 0
M  V30 2 N 7.5992 7.0021 0.0 0
M  V30 3 C 8.9329 7.7722 0.0 0
M  V30 4 C 10.2667 7.0021 0.0 0
M  V30 5 O 11.6003 7.7722 0.0 0
M  V30 6 C 12.9340 7.0021 0.0 0
M  V30 7 C 12.9340 5.4621 0.0 0
M  V30 8 O 14.2676 4.6921 0.0 0
M  V30 9 O 0.9473 7.0619 0.0 0
M  V30 10 O 0.0000 5.3348 0.0 0
M  V30 11 O 0.0000 0.0000 0.0 0
M  V30 12 F 16.9351 3.1521 0.0 0
M  V30 13 C 19.6024 7.7722 0.0 0
M  V30 14 N 23.6035 2.3821 0.0 0
M  V30 15 O 30.2720 3.1521 0.0 0
M  V30 16 C 4.9319 7.0021 0.0 0
M  V30 17 C 3.5981 7.7722 0.0 0
M  V30 18 C 4.6117 5.4957 0.0 0
M  V30 19 C 6.2656 7.7722 0.0 0
M  V30 20 C 2.4537 6.7417 0.0 0
M  V30 21 C 3.5981 9.3122 0.0 0
M  V30 22 N 3.0800 5.3348 0.0 0
M  V30 23 C 6.2656 9.3122 0.0 0
M  V30 24 C 4.9319 10.0822 0.0 0
M  V30 25 C 2.3100 4.0011 0.0 0
M  V30 26 C 0.7700 4.0011 0.0 0
M  V30 27 C 3.0800 2.6675 0.0 0
M  V30 28 N 0.0000 2.6675 0.0 0
M  V30 29 C 2.3100 1.3337 0.0 0
M  V30 30 C 0.7700 1.3337 0.0 0
M  V30 31 C 15.6014 5.4621 0.0 0
M  V30 32 C 16.9351 4.6921 0.0 0
M  V30 33 C 15.6014 7.0021 0.0 0
M  V30 34 C 18.2688 5.4621 0.0 0
M  V30 35 C 16.9351 7.7722 0.0 0
M  V30 36 C 18.2688 7.0021 0.0 0
M  V30 37 N 20.9362 7.0021 0.0 0
M  V30 38 C 20.9362 5.4621 0.0 0
M  V30 39 C 22.2699 7.7722 0.0 0
M  V30 40 C 22.2699 4.6921 0.0 0
M  V30 41 C 23.6035 7.0021 0.0 0
M  V30 42 N 23.6035 5.4621 0.0 0
M  V30 43 C 24.9372 4.6921 0.0 0
M  V30 44 C 26.2710 5.4621 0.0 0
M  V30 45 C 24.9372 3.1521 0.0 0
M  V30 46 C 27.6046 4.6921 0.0 0
M  V30 47 N 26.2710 2.3821 0.0 0
M  V30 48 N 27.6046 3.1521 0.0 0
M  V30 49 C 28.9383 5.4621 0.0 0
M  V30 50 C 30.2720 4.6921 0.0 0
M  V30 51 C 28.9383 7.0021 0.0 0
M  V30 52 C 31.6058 5.4621 0.0 0
M  V30 53 C 30.2720 7.7722 0.0 0
M  V30 54 C 31.6058 7.0021 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 18
M  V30 2 1 2 3
M  V30 3 1 2 19
M  V30 4 1 3 4
M  V30 5 1 4 5
M  V30 6 1 5 6
M  V30 7 1 6 7
M  V30 8 1 7 8
M  V30 9 1 8 31
M  V30 10 2 9 20
M  V30 11 2 10 26
M  V30 12 2 11 30
M  V30 13 1 12 32
M  V30 14 1 13 36
M  V30 15 1 13 37
M  V30 16 1 14 45
M  V30 17 1 15 50
M  V30 18 1 16 17
M  V30 19 1 16 18
M  V30 20 2 16 19
M  V30 21 1 17 20
M  V30 22 2 17 21
M  V30 23 1 18 22
M  V30 24 1 19 23
M  V30 25 1 20 22
M  V30 26 1 21 24
M  V30 27 1 22 25
M  V30 28 2 23 24
M  V30 29 1 25 26
M  V30 30 1 25 27
M  V30 31 1 26 28
M  V30 32 1 27 29
M  V30 33 1 28 30
M  V30 34 1 29 30
M  V30 35 2 31 32
M  V30 36 1 31 33
M  V30 37 1 32 34
M  V30 38 2 33 35
M  V30 39 2 34 36
M  V30 40 1 35 36
M  V30 41 1 37 38
M  V30 42 1 37 39
M  V30 43 1 38 40
M  V30 44 1 39 41
M  V30 45 1 40 42
M  V30 46 1 41 42
M  V30 47 1 42 43
M  V30 48 1 43 44
M  V30 49 2 43 45
M  V30 50 2 44 46
M  V30 51 1 45 47
M  V30 52 1 46 48
M  V30 53 1 46 49
M  V30 54 2 47 48
M  V30 55 2 49 50
M  V30 56 1 49 51
M  V30 57 1 50 52
M  V30 58 2 51 53
M  V30 59 2 52 54
M  V30 60 1 53 54
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
2951015-29-3

> <cas.index.name>
1H-Isoindole-1,3(2H)-dione, 4-[[2-[2-[4-[[4-[3-amino-6-(2-hydroxyphenyl)-4-pyridazinyl]-1-piperazinyl]methyl]-2-fluorophenoxy]ethoxy]ethyl]amino]-2-(2,6-dioxo-3-piperidinyl)-

> <molecular.formula>
C38H39FN8O7

> <molecular.weight>
738.77

> <boiling.point.predicted>
1004.9±65.0 °C    Press: 760 Torr

> <density.predicted>
1.438±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
6.27±0.30    Most Acidic Temp: 25 °C

$$$$
