N-Ethyl-5-fluoro-2-[[5-[2-[(1R)-4-[(2-methoxyethyl)methylamino]-1-(1-methylet...
C32H50FN7O3
2654081-35-1 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  43 46 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 14.4882 7.1806 0.0 0 CFG=1
M  V30 2 C 15.7343 6.2754 0.0 0
M  V30 3 C 14.6493 8.7121 0.0 0
M  V30 4 C 17.1411 6.9017 0.0 0
M  V30 5 C 16.0561 9.3386 0.0 0
M  V30 6 C 13.4035 9.6174 0.0 0
M  V30 7 C 18.3869 5.9966 0.0 0
M  V30 8 N 19.7939 6.6230 0.0 0
M  V30 9 C 21.0398 5.7177 0.0 0
M  V30 10 C 19.9548 8.1545 0.0 0
M  V30 11 C 22.4465 6.3442 0.0 0
M  V30 12 O 23.6924 5.4390 0.0 0
M  V30 13 C 25.0994 6.0653 0.0 0
M  V30 14 O 6.1600 4.0011 0.0 0
M  V30 15 C 4.6200 6.6684 0.0 0
M  V30 16 N 3.8500 8.0022 0.0 0
M  V30 17 O 6.1600 6.6684 0.0 0
M  V30 18 C 4.6200 9.3358 0.0 0
M  V30 19 C 2.3100 8.0022 0.0 0
M  V30 20 C 6.1600 9.3358 0.0 0
M  V30 21 C 3.8500 10.6695 0.0 0
M  V30 22 C 1.5400 9.3358 0.0 0
M  V30 23 F 0.0000 4.0011 0.0 0
M  V30 24 C 11.0918 5.6685 0.0 0
M  V30 25 C 10.7716 4.1620 0.0 0
M  V30 26 C 12.5295 5.1165 0.0 0
M  V30 27 C 11.6437 7.1061 0.0 0
M  V30 28 C 9.7581 6.4385 0.0 0
M  V30 29 N 9.2401 4.0011 0.0 0
M  V30 30 N 13.0814 6.5543 0.0 0
M  V30 31 C 8.6137 5.4079 0.0 0
M  V30 32 C 8.4700 2.6673 0.0 0
M  V30 33 C 6.9300 2.6673 0.0 0
M  V30 34 N 9.2401 1.3336 0.0 0
M  V30 35 N 6.1600 1.3336 0.0 0
M  V30 36 C 8.4700 0.0000 0.0 0
M  V30 37 N 6.9300 0.0000 0.0 0
M  V30 38 C 4.6200 4.0011 0.0 0
M  V30 39 C 3.8500 5.3347 0.0 0
M  V30 40 C 3.8500 2.6673 0.0 0
M  V30 41 C 2.3100 5.3347 0.0 0
M  V30 42 C 2.3100 2.6674 0.0 0
M  V30 43 C 1.5400 4.0011 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3 CFG=1
M  V30 3 1 1 30
M  V30 4 1 2 4
M  V30 5 1 3 5
M  V30 6 1 3 6
M  V30 7 1 4 7
M  V30 8 1 7 8
M  V30 9 1 8 9
M  V30 10 1 8 10
M  V30 11 1 9 11
M  V30 12 1 11 12
M  V30 13 1 12 13
M  V30 14 1 14 33
M  V30 15 1 14 38
M  V30 16 1 15 16
M  V30 17 2 15 17
M  V30 18 1 15 39
M  V30 19 1 16 18
M  V30 20 1 16 19
M  V30 21 1 18 20
M  V30 22 1 18 21
M  V30 23 1 19 22
M  V30 24 1 23 43
M  V30 25 1 24 25
M  V30 26 1 24 26
M  V30 27 1 24 27
M  V30 28 1 24 28
M  V30 29 1 25 29
M  V30 30 1 26 30
M  V30 31 1 27 30
M  V30 32 1 28 31
M  V30 33 1 29 31
M  V30 34 1 29 32
M  V30 35 1 32 33
M  V30 36 2 32 34
M  V30 37 2 33 35
M  V30 38 1 34 36
M  V30 39 1 35 37
M  V30 40 2 36 37
M  V30 41 2 38 39
M  V30 42 1 38 40
M  V30 43 1 39 41
M  V30 44 2 40 42
M  V30 45 2 41 43
M  V30 46 1 42 43
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 1)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
2654081-35-1

> <cas.index.name>
Benzamide, N-ethyl-5-fluoro-2-[[5-[2-[(1R)-4-[(2-methoxyethyl)methylamino]-1-(1-methylethyl)butyl]-2,6-diazaspiro[3.4]oct-6-yl]-1,2,4-triazin-6-yl]oxy]-N-(1-methylethyl)-

> <molecular.formula>
C32H50FN7O3

> <molecular.weight>
599.78

> <boiling.point.predicted>
698.3±65.0 °C    Press: 760 Torr

> <density.predicted>
1.19±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
9.14±0.20    Most Basic Temp: 25 °C

$$$$
