N-[2-[[5-Chloro-2-[[2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phe...
C28H37ClN8O3S
2254805-44-0 Copyright (C) 2025 ACS
 41 45  0  0  0  0  0  0  0  0999 V2000
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   13.0903    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3203    4.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <cas.rn>
2254805-44-0

> <ca.index.name>
Methanesulfonamide, N-[2-[[5-chloro-2-[[2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]amino]-4-pyrimidinyl]amino]phenyl]-

> <molecular.formula>
C28H37ClN8O3S

> <smiles.canonical>
O=S(=O)(NC=1C=CC=CC1NC2=NC(=NC=C2Cl)NC3=CC=C(C=C3OC)N4CCC(N5CCN(C)CC5)CC4)C

> <molecular.weight>
601.17

> <boiling.point.predicted>
767.948±70.00 °C    Press: 760.00 Torr

> <density.predicted>
1.370±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
8.435±0.10    Most Acidic Temp: 25 °C

$$$$
