(1R,3R)-1-[2,6-Difluoro-4-[[1-(3-fluoropropyl)-3-azetidinyl]amino]phenyl]-β,β...
C27H31F5N4O
1953133-47-5 Copyright (C) 2024 ACS
 37 41  0  0  1  0  0  0  0  0999 V2000
    4.0010    8.9402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3348    9.7102    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   15.2232    7.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <cas.rn>
1953133-47-5

> <cas.index.name>
2H-Pyrido[3,4-b]indole-2-propanol, 1-[2,6-difluoro-4-[[1-(3-fluoropropyl)-3-azetidinyl]amino]phenyl]-β,β-difluoro-1,3,4,9-tetrahydro-3-methyl-, (1R,3R)-

> <molecular.formula>
C27H31F5N4O

> <molecular.weight>
522.55

> <boiling.point.predicted>
618.819±55.00 °C    Press: 760.00 Torr

> <density.predicted>
1.333±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
13.678±0.10    Most Acidic Temp: 25 °C

$$$$
