N-[2-Chloro-4-(trifluoromethyl)phenyl]-2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-...
C31H31ClF3N9O5
2869954-34-5 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  49 54 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 9.3358 8.7486 0.0 0
M  V30 2 C 8.0021 7.9786 0.0 0
M  V30 3 N 6.6685 8.7486 0.0 0
M  V30 4 O 8.0021 6.4386 0.0 0
M  V30 5 C 12.0033 10.2886 0.0 0
M  V30 6 C 10.6696 11.0586 0.0 0
M  V30 7 O 14.6708 5.6685 0.0 0
M  V30 8 Cl 4.0010 10.2886 0.0 0
M  V30 9 C 18.6718 11.0586 0.0 0
M  V30 10 O 18.6718 12.5987 0.0 0
M  V30 11 C 1.3337 5.6685 0.0 0
M  V30 12 F 0.5637 7.0022 0.0 0
M  V30 13 F 0.0000 4.8985 0.0 0
M  V30 14 F 2.1037 4.3347 0.0 0
M  V30 15 O 21.3393 12.5987 0.0 0
M  V30 16 C 24.0066 11.0586 0.0 0
M  V30 17 C 10.6696 6.4386 0.0 0
M  V30 18 N 10.6696 7.9786 0.0 0
M  V30 19 N 12.0033 5.6685 0.0 0
M  V30 20 N 9.5251 5.4080 0.0 0
M  V30 21 C 12.0033 8.7486 0.0 0
M  V30 22 C 13.3370 6.4386 0.0 0
M  V30 23 N 11.6831 4.1621 0.0 0
M  V30 24 C 10.1516 4.0011 0.0 0
M  V30 25 C 13.3370 7.9786 0.0 0
M  V30 26 C 9.3815 2.6675 0.0 0
M  V30 27 C 10.1516 1.3337 0.0 0
M  V30 28 C 7.8415 2.6675 0.0 0
M  V30 29 C 9.3815 0.0000 0.0 0
M  V30 30 C 7.0715 1.3337 0.0 0
M  V30 31 O 7.8415 0.0000 0.0 0
M  V30 32 N 14.6708 8.7486 0.0 0
M  V30 33 C 14.6708 10.2886 0.0 0
M  V30 34 C 16.0044 7.9786 0.0 0
M  V30 35 C 16.0044 11.0586 0.0 0
M  V30 36 C 17.3381 8.7486 0.0 0
M  V30 37 N 17.3381 10.2886 0.0 0
M  V30 38 C 5.3348 7.9786 0.0 0
M  V30 39 C 4.0010 8.7486 0.0 0
M  V30 40 C 5.3348 6.4386 0.0 0
M  V30 41 C 2.6673 7.9786 0.0 0
M  V30 42 C 4.0010 5.6685 0.0 0
M  V30 43 C 2.6673 6.4386 0.0 0
M  V30 44 C 20.0056 10.2886 0.0 0
M  V30 45 C 21.3393 11.0586 0.0 0
M  V30 46 N 20.0056 8.7486 0.0 0
M  V30 47 C 22.6729 10.2886 0.0 0
M  V30 48 C 21.3393 7.9786 0.0 0
M  V30 49 N 22.6729 8.7486 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 18
M  V30 3 1 2 3
M  V30 4 2 2 4
M  V30 5 1 3 38
M  V30 6 1 5 6
M  V30 7 1 5 21
M  V30 8 2 7 22
M  V30 9 1 8 39
M  V30 10 2 9 10
M  V30 11 1 9 37
M  V30 12 1 9 44
M  V30 13 1 11 12
M  V30 14 1 11 13
M  V30 15 1 11 14
M  V30 16 1 11 43
M  V30 17 1 15 45
M  V30 18 1 16 47
M  V30 19 1 17 18
M  V30 20 1 17 19
M  V30 21 2 17 20
M  V30 22 1 18 21
M  V30 23 1 19 22
M  V30 24 1 19 23
M  V30 25 1 20 24
M  V30 26 2 21 25
M  V30 27 1 22 25
M  V30 28 2 23 24
M  V30 29 1 24 26
M  V30 30 1 25 32
M  V30 31 1 26 27
M  V30 32 2 26 28
M  V30 33 1 27 29
M  V30 34 1 28 30
M  V30 35 1 29 31
M  V30 36 1 30 31
M  V30 37 1 32 33
M  V30 38 1 32 34
M  V30 39 1 33 35
M  V30 40 1 34 36
M  V30 41 1 35 37
M  V30 42 1 36 37
M  V30 43 2 38 39
M  V30 44 1 38 40
M  V30 45 1 39 41
M  V30 46 2 40 42
M  V30 47 2 41 43
M  V30 48 1 42 43
M  V30 49 1 44 45
M  V30 50 2 44 46
M  V30 51 2 45 47
M  V30 52 1 46 48
M  V30 53 1 47 49
M  V30 54 2 48 49
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
2869954-34-5

> <cas.index.name>
[1,2,4]Triazolo[1,5-a]pyrimidine-4(7H)-acetamide, N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-6-[4-[(5-hydroxy-6-methyl-4-pyrimidinyl)carbonyl]-1-piperazinyl]-7-oxo-

> <molecular.formula>
C31H31ClF3N9O5

> <molecular.weight>
702.08

> <density.predicted>
1.58±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
5.87±0.45    Most Acidic Temp: 25 °C

$$$$
