(5S)-1′-[5-[(2-Amino-3-chloro-4-pyridinyl)thio]-2-pyrazinyl]-5,7-dihydrospiro...
C21H22ClN7S
2245082-05-5 Copyright (C) 2024 ACS
 30 34  0  0  1  0  0  0  0  0999 V2000
    4.6079    6.7118    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2773    4.0012    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.3574    4.0012    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   18.8974    1.3338    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <cas.rn>
2245082-05-5

> <cas.index.name>
Spiro[6H-cyclopenta[b]pyridine-6,4′-piperidin]-5-amine, 1′-[5-[(2-amino-3-chloro-4-pyridinyl)thio]-2-pyrazinyl]-5,7-dihydro-, (5S)-

> <molecular.formula>
C21H22ClN7S

> <molecular.weight>
439.97

> <boiling.point.predicted>
668.042±55.00 °C    Press: 760.00 Torr

> <density.predicted>
1.488±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
7.467±0.20    Most Basic Temp: 25 °C

$$$$
