5-[2-[5-Chloro-2-[[(5-ethoxy-8-quinolinyl)sulfonyl]amino]phenyl]ethynyl]-4-me...
C26H20ClN3O6S
2445185-57-7 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  37 40 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 12.0033 6.9302 0.0 0 VAL=6
M  V30 2 N 10.6697 6.1601 0.0 0
M  V30 3 O 11.2333 8.2638 0.0 0
M  V30 4 O 12.7733 5.5965 0.0 0
M  V30 5 O 17.3382 10.0102 0.0 0
M  V30 6 C 18.6720 9.2402 0.0 0
M  V30 7 C 20.0057 10.0102 0.0 0
M  V30 8 C 8.0023 4.6201 0.0 0
M  V30 9 C 6.6685 5.3901 0.0 0
M  V30 10 Cl 10.6697 0.0000 0.0 0
M  V30 11 O 4.0012 3.8501 0.0 0
M  V30 12 C 2.6675 3.0801 0.0 0
M  V30 13 C 1.3337 8.4702 0.0 0
M  V30 14 O 0.0000 7.7002 0.0 0
M  V30 15 O 1.3337 10.0102 0.0 0
M  V30 16 C 13.3372 9.2402 0.0 0
M  V30 17 C 14.6708 10.0102 0.0 0
M  V30 18 C 13.3372 7.7002 0.0 0
M  V30 19 N 12.0033 10.0102 0.0 0
M  V30 20 C 16.0045 9.2402 0.0 0
M  V30 21 C 14.6708 11.5503 0.0 0
M  V30 22 C 14.6708 6.9302 0.0 0
M  V30 23 C 12.0033 11.5503 0.0 0
M  V30 24 C 16.0045 7.7002 0.0 0
M  V30 25 C 13.3372 12.3203 0.0 0
M  V30 26 C 10.6697 4.6201 0.0 0
M  V30 27 C 9.3360 3.8501 0.0 0
M  V30 28 C 12.0033 3.8501 0.0 0
M  V30 29 C 9.3360 2.3101 0.0 0
M  V30 30 C 12.0033 2.3101 0.0 0
M  V30 31 C 10.6697 1.5400 0.0 0
M  V30 32 C 5.3348 6.1601 0.0 0
M  V30 33 C 4.0012 5.3901 0.0 0
M  V30 34 C 5.3348 7.7002 0.0 0
M  V30 35 C 2.6675 6.1601 0.0 0
M  V30 36 N 4.0012 8.4702 0.0 0
M  V30 37 C 2.6675 7.7002 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 2 1 4
M  V30 4 1 1 18
M  V30 5 1 2 26
M  V30 6 1 5 6
M  V30 7 1 5 20
M  V30 8 1 6 7
M  V30 9 3 8 9
M  V30 10 1 8 27
M  V30 11 1 9 32
M  V30 12 1 10 31
M  V30 13 1 11 12
M  V30 14 1 11 33
M  V30 15 1 13 14
M  V30 16 2 13 15
M  V30 17 1 13 37
M  V30 18 2 16 17
M  V30 19 1 16 18
M  V30 20 1 16 19
M  V30 21 1 17 20
M  V30 22 1 17 21
M  V30 23 2 18 22
M  V30 24 2 19 23
M  V30 25 2 20 24
M  V30 26 2 21 25
M  V30 27 1 22 24
M  V30 28 1 23 25
M  V30 29 2 26 27
M  V30 30 1 26 28
M  V30 31 1 27 29
M  V30 32 2 28 30
M  V30 33 2 29 31
M  V30 34 1 30 31
M  V30 35 1 32 33
M  V30 36 2 32 34
M  V30 37 2 33 35
M  V30 38 1 34 36
M  V30 39 1 35 37
M  V30 40 2 36 37
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
2445185-57-7

> <cas.index.name>
2-Pyridinecarboxylic acid, 5-[2-[5-chloro-2-[[(5-ethoxy-8-quinolinyl)sulfonyl]amino]phenyl]ethynyl]-4-methoxy-

> <molecular.formula>
C26H20ClN3O6S

> <molecular.weight>
537.97

> <boiling.point.predicted>
779.1±70.0 °C    Press: 760 Torr

> <density.predicted>
1.53±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
0.85±0.50    Most Acidic Temp: 25 °C

$$$$
