N-[(1S)-1-(6-Amino-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenyl]-2-naphtha...
C25H20F3N3O
2417718-63-7 Copyright (C) 2023 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  32 35 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 12.0033 5.3901 0.0 0
M  V30 2 N 13.3372 4.6201 0.0 0
M  V30 3 O 12.0033 6.9302 0.0 0
M  V30 4 C 14.6708 5.3901 0.0 0 CFG=2
M  V30 5 C 14.6708 6.9302 0.0 0
M  V30 6 C 1.3337 5.3901 0.0 0
M  V30 7 F 0.5637 4.0564 0.0 0
M  V30 8 F 0.0000 6.1601 0.0 0
M  V30 9 F 2.1037 6.7238 0.0 0
M  V30 10 N 20.0057 5.3901 0.0 0
M  V30 11 C 8.0023 3.0801 0.0 0
M  V30 12 C 6.6685 2.3101 0.0 0
M  V30 13 C 9.3360 2.3101 0.0 0
M  V30 14 C 8.0023 4.6201 0.0 0
M  V30 15 C 6.6685 0.7700 0.0 0
M  V30 16 C 10.6697 3.0801 0.0 0
M  V30 17 C 9.3360 0.7700 0.0 0
M  V30 18 C 9.3360 5.3901 0.0 0
M  V30 19 C 8.0023 0.0000 0.0 0
M  V30 20 C 10.6697 4.6201 0.0 0
M  V30 21 C 5.3348 3.0801 0.0 0
M  V30 22 C 5.3348 4.6201 0.0 0
M  V30 23 C 4.0012 2.3101 0.0 0
M  V30 24 C 4.0012 5.3901 0.0 0
M  V30 25 C 2.6675 3.0801 0.0 0
M  V30 26 C 2.6675 4.6201 0.0 0
M  V30 27 C 16.0045 4.6201 0.0 0
M  V30 28 N 17.3382 5.3901 0.0 0
M  V30 29 C 16.0045 3.0801 0.0 0
M  V30 30 C 18.6720 4.6201 0.0 0
M  V30 31 C 17.3382 2.3101 0.0 0
M  V30 32 C 18.6720 3.0801 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 1 20
M  V30 4 1 2 4
M  V30 5 1 4 5 CFG=1
M  V30 6 1 4 27
M  V30 7 1 6 7
M  V30 8 1 6 8
M  V30 9 1 6 9
M  V30 10 1 6 26
M  V30 11 1 10 30
M  V30 12 1 11 12
M  V30 13 2 11 13
M  V30 14 1 11 14
M  V30 15 2 12 15
M  V30 16 1 12 21
M  V30 17 1 13 16
M  V30 18 1 13 17
M  V30 19 2 14 18
M  V30 20 1 15 19
M  V30 21 2 16 20
M  V30 22 2 17 19
M  V30 23 1 18 20
M  V30 24 2 21 22
M  V30 25 1 21 23
M  V30 26 1 22 24
M  V30 27 2 23 25
M  V30 28 2 24 26
M  V30 29 1 25 26
M  V30 30 1 27 28
M  V30 31 2 27 29
M  V30 32 2 28 30
M  V30 33 1 29 31
M  V30 34 1 30 32
M  V30 35 2 31 32
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 4)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
2417718-63-7

> <cas.index.name>
2-Naphthalenecarboxamide, N-[(1S)-1-(6-amino-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenyl]-

> <molecular.formula>
C25H20F3N3O

> <molecular.weight>
435.44

> <boiling.point.predicted>
630.4±55.0 °C    Press: 760 Torr

> <density.predicted>
1.295±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
13.25±0.46    Most Acidic Temp: 25 °C

$$$$
