N-[2-[2-(Dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methyl-1H-indol-3-yl)-2-pyr...
C27H30N6O3
1835667-12-3 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  36 39 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 2.1260 10.9589 0.0 0
M  V30 2 N 9.7546 7.7002 0.0 0
M  V30 3 O 12.4219 9.2402 0.0 0
M  V30 4 C 13.7556 10.0102 0.0 0
M  V30 5 N 12.4219 3.0801 0.0 0
M  V30 6 C 11.0882 2.3101 0.0 0
M  V30 7 C 11.0882 0.7700 0.0 0
M  V30 8 O 9.7546 3.0801 0.0 0
M  V30 9 C 9.7546 0.0000 0.0 0
M  V30 10 O 15.0894 4.6201 0.0 0
M  V30 11 C 16.4231 5.3901 0.0 0
M  V30 12 C 17.7567 4.6201 0.0 0
M  V30 13 N 19.0904 5.3901 0.0 0
M  V30 14 C 19.0904 6.9302 0.0 0
M  V30 15 C 20.4242 4.6201 0.0 0
M  V30 16 C 4.4197 7.7002 0.0 0
M  V30 17 C 3.0128 7.0738 0.0 0
M  V30 18 C 4.2587 9.2317 0.0 0
M  V30 19 C 1.9823 8.2182 0.0 0
M  V30 20 C 2.5369 5.6091 0.0 0
M  V30 21 N 2.7523 9.5519 0.0 0
M  V30 22 C 0.4759 7.8981 0.0 0
M  V30 23 C 1.0306 5.2889 0.0 0
M  V30 24 C 0.0000 6.4335 0.0 0
M  V30 25 C 5.7534 6.9302 0.0 0
M  V30 26 N 7.0871 7.7002 0.0 0
M  V30 27 C 5.7534 5.3901 0.0 0
M  V30 28 C 8.4208 6.9302 0.0 0
M  V30 29 C 7.0871 4.6201 0.0 0
M  V30 30 N 8.4208 5.3901 0.0 0
M  V30 31 C 11.0882 6.9302 0.0 0
M  V30 32 C 12.4219 7.7002 0.0 0
M  V30 33 C 11.0882 5.3901 0.0 0
M  V30 34 C 13.7556 6.9302 0.0 0
M  V30 35 C 12.4219 4.6201 0.0 0
M  V30 36 C 13.7556 5.3901 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 21
M  V30 2 1 2 28
M  V30 3 1 2 31
M  V30 4 1 3 4
M  V30 5 1 3 32
M  V30 6 1 5 6
M  V30 7 1 5 35
M  V30 8 1 6 7
M  V30 9 2 6 8
M  V30 10 2 7 9
M  V30 11 1 10 11
M  V30 12 1 10 36
M  V30 13 1 11 12
M  V30 14 1 12 13
M  V30 15 1 13 14
M  V30 16 1 13 15
M  V30 17 1 16 17
M  V30 18 2 16 18
M  V30 19 1 16 25
M  V30 20 1 17 19
M  V30 21 2 17 20
M  V30 22 1 18 21
M  V30 23 1 19 21
M  V30 24 2 19 22
M  V30 25 1 20 23
M  V30 26 1 22 24
M  V30 27 2 23 24
M  V30 28 2 25 26
M  V30 29 1 25 27
M  V30 30 1 26 28
M  V30 31 2 27 29
M  V30 32 2 28 30
M  V30 33 1 29 30
M  V30 34 2 31 32
M  V30 35 1 31 33
M  V30 36 1 32 34
M  V30 37 2 33 35
M  V30 38 2 34 36
M  V30 39 1 35 36
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
1835667-12-3

> <cas.index.name>
2-Propenamide, N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methyl-1H-indol-3-yl)-2-pyrimidinyl]amino]phenyl]-

> <molecular.formula>
C27H30N6O3

> <molecular.weight>
486.57

> <density.predicted>
1.21±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
12.06±0.70    Most Acidic Temp: 25 °C

$$$$
