4-[[4-Amino-6-(methoxymethyl)-5-(7-methoxy-5-methylbenzo[b]thien-2-yl)pyrrolo...
C23H26N6O3S
1443530-05-9 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  33 37 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 9.2454 3.2489 0.0 0
M  V30 2 O 10.5792 2.4789 0.0 0
M  V30 3 C 10.5792 0.9389 0.0 0
M  V30 4 N 6.1654 8.4923 0.0 0
M  V30 5 C 11.9559 5.2181 0.0 0
M  V30 6 O 3.9644 1.1445 0.0 0
M  V30 7 C 2.9340 0.0000 0.0 0
M  V30 8 C 0.0000 4.7141 0.0 0
M  V30 9 O 17.1741 6.3274 0.0 0
M  V30 10 C 7.9995 5.6942 0.0 0
M  V30 11 C 8.4754 7.1587 0.0 0
M  V30 12 C 9.2454 4.7889 0.0 0
M  V30 13 N 10.0154 7.1587 0.0 0
M  V30 14 C 7.7054 8.4923 0.0 0
M  V30 15 C 10.4913 5.6942 0.0 0
M  V30 16 N 10.7854 8.4923 0.0 0
M  V30 17 N 8.4754 9.8261 0.0 0
M  V30 18 C 10.0154 9.8261 0.0 0
M  V30 19 C 6.5350 5.2181 0.0 0
M  V30 20 S 6.0590 3.7536 0.0 0
M  V30 21 C 5.2890 6.1233 0.0 0
M  V30 22 C 4.5190 3.7536 0.0 0
M  V30 23 C 4.0431 5.2181 0.0 0
M  V30 24 C 3.4886 2.6091 0.0 0
M  V30 25 C 2.5368 5.5385 0.0 0
M  V30 26 C 1.9823 2.9292 0.0 0
M  V30 27 C 1.5063 4.3939 0.0 0
M  V30 28 N 13.1003 6.2487 0.0 0
M  V30 29 C 14.5650 5.7728 0.0 0
M  V30 30 C 12.7802 7.7550 0.0 0
M  V30 31 C 15.7094 6.8033 0.0 0
M  V30 32 C 13.9247 8.7854 0.0 0
M  V30 33 N 15.3892 8.3095 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 12
M  V30 3 1 2 3
M  V30 4 1 4 14
M  V30 5 1 5 15
M  V30 6 1 5 28
M  V30 7 1 6 7
M  V30 8 1 6 24
M  V30 9 1 8 27
M  V30 10 2 9 31
M  V30 11 2 10 11
M  V30 12 1 10 12
M  V30 13 1 10 19
M  V30 14 1 11 13
M  V30 15 1 11 14
M  V30 16 2 12 15
M  V30 17 1 13 15
M  V30 18 1 13 16
M  V30 19 2 14 17
M  V30 20 2 16 18
M  V30 21 1 17 18
M  V30 22 1 19 20
M  V30 23 2 19 21
M  V30 24 1 20 22
M  V30 25 1 21 23
M  V30 26 1 22 23
M  V30 27 2 22 24
M  V30 28 2 23 25
M  V30 29 1 24 26
M  V30 30 1 25 27
M  V30 31 2 26 27
M  V30 32 1 28 29
M  V30 33 1 28 30
M  V30 34 1 29 31
M  V30 35 1 30 32
M  V30 36 1 31 33
M  V30 37 1 32 33
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
1443530-05-9

> <cas.index.name>
2-Piperazinone, 4-[[4-amino-6-(methoxymethyl)-5-(7-methoxy-5-methylbenzo[b]thien-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl]-

> <molecular.formula>
C23H26N6O3S

> <molecular.weight>
466.56

> <density.predicted>
1.48±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
15.49±0.20    Most Acidic Temp: 25 °C

$$$$
