7-(Dimethylphosphinyl)-3-[2-[[(3S)-6,6-dimethyl-3-piperidinyl]amino]-5-(trifl...
C23H26F3N6OP
2417302-07-7 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  34 37 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 7.9836 1.3336 0.0 0
M  V30 2 F 9.3174 0.5636 0.0 0
M  V30 3 F 7.2136 0.0000 0.0 0
M  V30 4 F 6.6499 2.1037 0.0 0
M  V30 5 P 1.4647 5.3257 0.0 0 VAL=5
M  V30 6 C 0.0000 4.8498 0.0 0
M  V30 7 C 0.9888 6.7902 0.0 0
M  V30 8 O 1.9406 3.8610 0.0 0
M  V30 9 N 11.0636 6.6684 0.0 0
M  V30 10 C 2.1050 8.3384 0.0 0
M  V30 11 N 0.9607 9.3688 0.0 0
M  V30 12 C 16.8634 7.6583 0.0 0
M  V30 13 C 16.8634 5.6785 0.0 0
M  V30 14 C 6.4435 4.0011 0.0 0
M  V30 15 C 5.5383 5.2470 0.0 0
M  V30 16 C 5.5383 2.7552 0.0 0
M  V30 17 C 4.0738 4.7711 0.0 0
M  V30 18 C 5.8587 6.7532 0.0 0
M  V30 19 N 4.0738 3.2311 0.0 0
M  V30 20 C 2.9292 5.8015 0.0 0
M  V30 21 C 4.7141 7.7838 0.0 0
M  V30 22 C 3.2496 7.3078 0.0 0
M  V30 23 C 7.9836 4.0011 0.0 0
M  V30 24 C 8.7536 2.6673 0.0 0
M  V30 25 N 8.7536 5.3347 0.0 0
M  V30 26 C 10.2936 2.6673 0.0 0
M  V30 27 C 10.2936 5.3347 0.0 0
M  V30 28 N 11.0636 4.0011 0.0 0
M  V30 29 C 12.6036 6.6684 0.0 0 CFG=2
M  V30 30 C 13.3736 5.3347 0.0 0
M  V30 31 C 13.3736 8.0020 0.0 0
M  V30 32 C 14.9136 5.3347 0.0 0
M  V30 33 N 14.9136 8.0020 0.0 0
M  V30 34 C 15.6836 6.6684 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 1 1 4
M  V30 4 1 1 24
M  V30 5 1 5 6
M  V30 6 1 5 7
M  V30 7 2 5 8
M  V30 8 1 5 20
M  V30 9 1 9 27
M  V30 10 1 29 9 CFG=3
M  V30 11 3 10 11
M  V30 12 1 10 22
M  V30 13 1 12 34
M  V30 14 1 13 34
M  V30 15 1 14 15
M  V30 16 2 14 16
M  V30 17 1 14 23
M  V30 18 1 15 17
M  V30 19 2 15 18
M  V30 20 1 16 19
M  V30 21 1 17 19
M  V30 22 2 17 20
M  V30 23 1 18 21
M  V30 24 1 20 22
M  V30 25 2 21 22
M  V30 26 1 23 24
M  V30 27 2 23 25
M  V30 28 2 24 26
M  V30 29 1 25 27
M  V30 30 1 26 28
M  V30 31 2 27 28
M  V30 32 1 29 30
M  V30 33 1 29 31
M  V30 34 1 30 32
M  V30 35 1 31 33
M  V30 36 1 32 34
M  V30 37 1 33 34
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 29)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
2417302-07-7

> <cas.index.name>
1H-Indole-6-carbonitrile, 7-(dimethylphosphinyl)-3-[2-[[(3S)-6,6-dimethyl-3-piperidinyl]amino]-5-(trifluoromethyl)-4-pyrimidinyl]-

> <molecular.formula>
C23H26F3N6OP

> <molecular.weight>
490.46

> <boiling.point.predicted>
751.4±70.0 °C    Press: 760 Torr

> <density.predicted>
1.36±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
11.05±0.30    Most Acidic Temp: 25 °C

$$$$
