Glesatinib
C31H27F2N5O3S2
936694-12-1 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  43 47 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 13.8603 8.0022 0.0 0
M  V30 2 F 12.3203 5.3348 0.0 0
M  V30 3 N 7.7002 8.0022 0.0 0
M  V30 4 C 6.9302 6.6685 0.0 0
M  V30 5 N 5.3901 6.6685 0.0 0
M  V30 6 S 7.7002 5.3348 0.0 0
M  V30 7 C 4.6201 5.3348 0.0 0
M  V30 8 C 3.0802 5.3348 0.0 0
M  V30 9 O 5.3901 4.0012 0.0 0
M  V30 10 C 23.9426 5.7379 0.0 0
M  V30 11 N 25.2764 6.5079 0.0 0
M  V30 12 C 26.6101 5.7379 0.0 0
M  V30 13 C 27.9438 6.5079 0.0 0
M  V30 14 O 29.2774 5.7379 0.0 0
M  V30 15 C 30.6112 6.5079 0.0 0
M  V30 16 F 0.0002 0.0000 0.0 0
M  V30 17 C 16.1704 9.3360 0.0 0
M  V30 18 C 16.9404 10.6697 0.0 0
M  V30 19 C 14.6303 9.3360 0.0 0
M  V30 20 S 17.2009 8.1914 0.0 0
M  V30 21 C 18.4468 10.3495 0.0 0
M  V30 22 N 16.1704 12.0033 0.0 0
M  V30 23 C 13.8603 10.6697 0.0 0
M  V30 24 C 18.6078 8.8179 0.0 0
M  V30 25 C 14.6303 12.0033 0.0 0
M  V30 26 C 12.3203 8.0022 0.0 0
M  V30 27 C 11.5503 6.6685 0.0 0
M  V30 28 C 11.5503 9.3360 0.0 0
M  V30 29 C 10.0102 6.6685 0.0 0
M  V30 30 C 10.0102 9.3360 0.0 0
M  V30 31 C 9.2402 8.0022 0.0 0
M  V30 32 C 19.9414 8.0479 0.0 0
M  V30 33 C 19.9414 6.5079 0.0 0
M  V30 34 N 21.2753 8.8179 0.0 0
M  V30 35 C 21.2753 5.7379 0.0 0
M  V30 36 C 22.6089 8.0479 0.0 0
M  V30 37 C 22.6089 6.5079 0.0 0
M  V30 38 C 2.3101 4.0012 0.0 0
M  V30 39 C 3.0801 2.6673 0.0 0
M  V30 40 C 0.7702 4.0012 0.0 0
M  V30 41 C 2.3101 1.3337 0.0 0
M  V30 42 C 0.0000 2.6673 0.0 0
M  V30 43 C 0.7700 1.3337 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 19
M  V30 2 1 1 26
M  V30 3 1 2 27
M  V30 4 1 3 4
M  V30 5 1 3 31
M  V30 6 1 4 5
M  V30 7 2 4 6
M  V30 8 1 5 7
M  V30 9 1 7 8
M  V30 10 2 7 9
M  V30 11 1 8 38
M  V30 12 1 10 11
M  V30 13 1 10 37
M  V30 14 1 11 12
M  V30 15 1 12 13
M  V30 16 1 13 14
M  V30 17 1 14 15
M  V30 18 1 16 43
M  V30 19 1 17 18
M  V30 20 2 17 19
M  V30 21 1 17 20
M  V30 22 1 18 21
M  V30 23 2 18 22
M  V30 24 1 19 23
M  V30 25 1 20 24
M  V30 26 2 21 24
M  V30 27 1 22 25
M  V30 28 2 23 25
M  V30 29 1 24 32
M  V30 30 2 26 27
M  V30 31 1 26 28
M  V30 32 1 27 29
M  V30 33 2 28 30
M  V30 34 2 29 31
M  V30 35 1 30 31
M  V30 36 2 32 33
M  V30 37 1 32 34
M  V30 38 1 33 35
M  V30 39 2 34 36
M  V30 40 2 35 37
M  V30 41 1 36 37
M  V30 42 2 38 39
M  V30 43 1 38 40
M  V30 44 1 39 41
M  V30 45 2 40 42
M  V30 46 2 41 43
M  V30 47 1 42 43
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
936694-12-1

> <cas.index.name>
Benzeneacetamide, 4-fluoro-N-[[[3-fluoro-4-[[2-[5-[[(2-methoxyethyl)amino]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy]phenyl]amino]thioxomethyl]-

> <molecular.formula>
C31H27F2N5O3S2

> <molecular.weight>
619.71

> <density.predicted>
1.380±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
9.47±0.70    Most Acidic Temp: 25 °C

$$$$
