Quisinostat
C21H26N6O2
875320-29-9 Copyright (C) 2024 ACS
 29 32  0  0  0  0  0  0  0  0999 V2000
    5.2309    5.3026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7709    5.3026    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5409    6.6363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1037    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3212    6.6363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0912    7.9700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.0912    5.3026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6312    7.9700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9293    3.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4609    3.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6091    2.3016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7849    4.8385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0873    2.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9428    1.5316    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1444    1.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3202    4.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0810    6.6363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8510    7.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8510    5.3026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3910    7.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3910    5.3026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1610    6.6363    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7011    6.6363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4711    7.9700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4711    5.3026    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0111    7.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0111    5.3026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7811    6.6363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3 18  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5 29  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
> <cas.rn>
875320-29-9

> <cas.index.name>
5-Pyrimidinecarboxamide, N-hydroxy-2-[4-[[[(1-methyl-1H-indol-3-yl)methyl]amino]methyl]-1-piperidinyl]-

> <molecular.formula>
C21H26N6O2

> <molecular.weight>
394.47

> <density.predicted>
1.358±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
8.122±0.10    Most Acidic Temp: 25 °C

$$$$
