1-[4-[[3-Amino-5-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]dec-8-yl]-2-pyrazinyl]thi...
C22H26F2N6O2S
2169223-48-5 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  33 37 0 0 1
M  V30 BEGIN ATOM
M  V30 1 S 11.6098 4.8840 0.0 0
M  V30 2 F 15.7203 6.0283 0.0 0
M  V30 3 F 13.7045 5.5999 0.0 0
M  V30 4 C 17.3406 1.5063 0.0 0
M  V30 5 C 17.0204 0.0000 0.0 0
M  V30 6 O 18.8052 1.9821 0.0 0
M  V30 7 N 10.0698 7.5512 0.0 0
M  V30 8 N 1.9406 7.5944 0.0 0
M  V30 9 C 13.9198 3.5502 0.0 0
M  V30 10 C 14.6898 2.2165 0.0 0
M  V30 11 C 12.3798 3.5502 0.0 0
M  V30 12 C 14.9503 4.6947 0.0 0
M  V30 13 N 16.1962 2.5367 0.0 0
M  V30 14 C 13.9198 0.8829 0.0 0
M  V30 15 C 11.6098 2.2165 0.0 0
M  V30 16 C 16.3571 4.0684 0.0 0
M  V30 17 C 12.3798 0.8829 0.0 0
M  V30 18 C 10.0698 4.8840 0.0 0
M  V30 19 C 9.2998 6.2176 0.0 0
M  V30 20 N 9.2998 3.5502 0.0 0
M  V30 21 N 7.7598 6.2176 0.0 0
M  V30 22 C 7.7598 3.5502 0.0 0
M  V30 23 C 6.9898 4.8840 0.0 0
M  V30 24 N 5.4498 4.8840 0.0 0
M  V30 25 C 4.6798 6.2176 0.0 0
M  V30 26 C 4.6798 3.5502 0.0 0
M  V30 27 C 3.1398 6.2176 0.0 0
M  V30 28 C 3.1398 3.5502 0.0 0
M  V30 29 C 2.3698 4.8840 0.0 0
M  V30 30 C 1.4647 6.1298 0.0 0 CFG=2
M  V30 31 C 1.4647 3.6381 0.0 0
M  V30 32 C 0.0000 5.6540 0.0 0
M  V30 33 O 0.0000 4.1140 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 11
M  V30 2 1 1 18
M  V30 3 1 2 12
M  V30 4 1 3 12
M  V30 5 1 4 5
M  V30 6 2 4 6
M  V30 7 1 4 13
M  V30 8 1 7 19
M  V30 9 1 30 8 CFG=1
M  V30 10 1 9 10
M  V30 11 2 9 11
M  V30 12 1 9 12
M  V30 13 1 10 13
M  V30 14 2 10 14
M  V30 15 1 11 15
M  V30 16 1 12 16
M  V30 17 1 13 16
M  V30 18 1 14 17
M  V30 19 2 15 17
M  V30 20 1 18 19
M  V30 21 2 18 20
M  V30 22 2 19 21
M  V30 23 1 20 22
M  V30 24 1 21 23
M  V30 25 2 22 23
M  V30 26 1 23 24
M  V30 27 1 24 25
M  V30 28 1 24 26
M  V30 29 1 25 27
M  V30 30 1 26 28
M  V30 31 1 27 29
M  V30 32 1 28 29
M  V30 33 1 29 30
M  V30 34 1 29 31
M  V30 35 1 30 32
M  V30 36 1 31 33
M  V30 37 1 32 33
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 30)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
2169223-48-5

> <cas.index.name>
Ethanone, 1-[4-[[3-amino-5-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]dec-8-yl]-2-pyrazinyl]thio]-3,3-difluoro-2,3-dihydro-1H-indol-1-yl]-

> <molecular.formula>
C22H26F2N6O2S

> <molecular.weight>
476.54

> <boiling.point.predicted>
732.6±60.0 °C    Press: 760 Torr

> <density.predicted>
1.48±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
9.26±0.20    Most Basic Temp: 25 °C

$$$$
