cis-4-[2-Fluoro-4-methoxy-5-[[[(1S,2R,3S,4R)-3-[[[(1-methylcyclobutyl)methyl]...
C30H41FN2O6
2787501-83-9 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  41 45 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 3.0788 6.1053 0.0 0
M  V30 2 N 2.3128 4.7693 0.0 0
M  V30 3 O 4.6188 6.1100 0.0 0
M  V30 4 C 3.0868 3.4380 0.0 0
M  V30 5 N 4.6128 8.7715 0.0 0
M  V30 6 C 5.3828 10.1053 0.0 0
M  V30 7 O 4.6128 11.4390 0.0 0
M  V30 8 C 0.9848 2.8678 0.0 0
M  V30 9 O 6.9229 12.7727 0.0 0
M  V30 10 C 7.6929 14.1063 0.0 0
M  V30 11 O 10.0029 7.4379 0.0 0
M  V30 12 F 11.5429 10.1053 0.0 0
M  V30 13 C 15.8027 6.4479 0.0 0
M  V30 14 O 15.5353 4.9313 0.0 0
M  V30 15 O 17.2498 6.9746 0.0 0
M  V30 16 C 15.8027 8.4278 0.0 0
M  V30 17 C 2.3048 7.4368 0.0 0 CFG=1
M  V30 18 C 3.0728 8.7715 0.0 0 CFG=2
M  V30 19 C 0.7728 7.4297 0.0 0 CFG=2
M  V30 20 C 2.3088 10.0995 0.0 0 CFG=1
M  V30 21 C 1.1315 9.0001 0.0 0
M  V30 22 C 0.0000 8.7627 0.0 0
M  V30 23 C 0.7680 10.0976 0.0 0
M  V30 24 C 6.9229 10.1053 0.0 0
M  V30 25 C 7.6929 11.4390 0.0 0
M  V30 26 C 7.6929 8.7715 0.0 0
M  V30 27 C 9.2329 11.4390 0.0 0
M  V30 28 C 9.2329 8.7715 0.0 0
M  V30 29 C 10.0029 10.1053 0.0 0
M  V30 30 C 2.3210 2.1020 0.0 0
M  V30 31 C 3.6569 1.3360 0.0 0
M  V30 32 C 1.5550 0.7659 0.0 0
M  V30 33 C 2.8909 0.0000 0.0 0
M  V30 34 C 11.5429 7.4379 0.0 0 CFG=2
M  V30 35 C 12.3130 8.7715 0.0 0
M  V30 36 C 12.3130 6.1042 0.0 0
M  V30 37 C 13.8530 8.7715 0.0 0
M  V30 38 C 13.8530 6.1042 0.0 0
M  V30 39 C 14.6230 7.4379 0.0 0 CFG=1
M  V30 40 H 0.0071 6.0936 0.0 0
M  V30 41 H 3.0790 11.4331 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 1 3
M  V30 3 1 17 1 CFG=1
M  V30 4 1 2 4
M  V30 5 1 4 30
M  V30 6 1 5 6
M  V30 7 1 18 5 CFG=1
M  V30 8 2 6 7
M  V30 9 1 6 24
M  V30 10 1 8 30
M  V30 11 1 9 10
M  V30 12 1 9 25
M  V30 13 1 11 28
M  V30 14 1 34 11 CFG=1
M  V30 15 1 12 29
M  V30 16 1 13 14
M  V30 17 2 13 15
M  V30 18 1 39 13 CFG=1
M  V30 19 1 39 16 CFG=3
M  V30 20 1 17 18
M  V30 21 1 17 19
M  V30 22 1 18 20
M  V30 23 1 19 21 CFG=1
M  V30 24 1 19 22
M  V30 25 1 19 40
M  V30 26 1 20 21 CFG=1
M  V30 27 1 20 23
M  V30 28 1 20 41
M  V30 29 1 22 23
M  V30 30 2 24 25
M  V30 31 1 24 26
M  V30 32 1 25 27
M  V30 33 2 26 28
M  V30 34 2 27 29
M  V30 35 1 28 29
M  V30 36 1 30 31
M  V30 37 1 30 32
M  V30 38 1 31 33
M  V30 39 1 32 33
M  V30 40 1 34 35
M  V30 41 1 34 36
M  V30 42 1 35 37
M  V30 43 1 36 38
M  V30 44 1 37 39
M  V30 45 1 38 39
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(6 17 18 19 20 34 39)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
2787501-83-9

> <cas.index.name>
Cyclohexanecarboxylic acid, 4-[2-fluoro-4-methoxy-5-[[[(1S,2R,3S,4R)-3-[[[(1-methylcyclobutyl)methyl]amino]carbonyl]bicyclo[2.2.1]hept-2-yl]amino]carbonyl]phenoxy]-1-methyl-, cis-

> <molecular.formula>
C30H41FN2O6

> <molecular.weight>
544.66

> <boiling.point.predicted>
714.1±60.0 °C    Press: 760 Torr

> <density.predicted>
1.27±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
4.87±0.44    Most Acidic Temp: 25 °C

$$$$
