N-[(3S,4R)-4-(2,6-Difluoro-4-methoxyphenyl)-2-oxo-3-pyrrolidinyl]-N′-phenylurea
C18H17F2N3O3
2253947-47-4 Copyright (C) 2024 ACS
 26 28  0  0  1  0  0  0  0  0999 V2000
    7.9298    3.7710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4698    3.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2398    5.1048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2398    2.4374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5800    5.2057    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6155    1.6361    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.2925    0.7104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5064    6.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6417    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0610    4.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5368    5.7097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7798    5.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5498    6.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5498    3.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0898    6.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0898    3.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8598    5.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <cas.rn>
2253947-47-4

> <cas.index.name>
Urea, N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxo-3-pyrrolidinyl]-N′-phenyl-

> <molecular.formula>
C18H17F2N3O3

> <molecular.weight>
361.34

> <boiling.point.predicted>
499.429±45.00 °C    Press: 760.00 Torr

> <density.predicted>
1.377±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
10.236±0.40    Most Acidic Temp: 25 °C

$$$$
