4-Cyano-2-[[2-(4-fluoro-1-naphthalenyl)-1-oxopropyl]amino]benzenebutanoic acid
C24H21FN2O3
402473-54-5 Copyright (C) 2023 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  30 32 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 6.1601 8.0021 0.0 0
M  V30 2 C 6.9301 6.6684 0.0 0
M  V30 3 C 6.9301 9.3359 0.0 0
M  V30 4 N 8.4701 6.6684 0.0 0
M  V30 5 O 6.1601 5.3348 0.0 0
M  V30 6 F 0.0000 8.0021 0.0 0
M  V30 7 C 11.5501 6.6684 0.0 0
M  V30 8 C 13.0901 6.6684 0.0 0
M  V30 9 C 13.8602 8.0021 0.0 0
M  V30 10 C 15.4002 8.0021 0.0 0
M  V30 11 O 16.1702 9.3359 0.0 0
M  V30 12 O 16.1702 6.6684 0.0 0
M  V30 13 C 8.4701 1.3337 0.0 0
M  V30 14 N 7.7001 0.0000 0.0 0
M  V30 15 C 3.8500 9.3359 0.0 0
M  V30 16 C 4.6201 8.0021 0.0 0
M  V30 17 C 2.3100 9.3359 0.0 0
M  V30 18 C 4.6201 10.6695 0.0 0
M  V30 19 C 3.8500 6.6684 0.0 0
M  V30 20 C 1.5400 8.0021 0.0 0
M  V30 21 C 1.5400 10.6695 0.0 0
M  V30 22 C 3.8500 12.0032 0.0 0
M  V30 23 C 2.3100 6.6684 0.0 0
M  V30 24 C 2.3100 12.0032 0.0 0
M  V30 25 C 9.2401 5.3348 0.0 0
M  V30 26 C 10.7801 5.3348 0.0 0
M  V30 27 C 8.4701 4.0011 0.0 0
M  V30 28 C 11.5501 4.0011 0.0 0
M  V30 29 C 9.2401 2.6673 0.0 0
M  V30 30 C 10.7801 2.6673 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 1 1 16
M  V30 4 1 2 4
M  V30 5 2 2 5
M  V30 6 1 4 25
M  V30 7 1 6 20
M  V30 8 1 7 8
M  V30 9 1 7 26
M  V30 10 1 8 9
M  V30 11 1 9 10
M  V30 12 1 10 11
M  V30 13 2 10 12
M  V30 14 3 13 14
M  V30 15 1 13 29
M  V30 16 1 15 16
M  V30 17 2 15 17
M  V30 18 1 15 18
M  V30 19 2 16 19
M  V30 20 1 17 20
M  V30 21 1 17 21
M  V30 22 2 18 22
M  V30 23 1 19 23
M  V30 24 2 20 23
M  V30 25 2 21 24
M  V30 26 1 22 24
M  V30 27 2 25 26
M  V30 28 1 25 27
M  V30 29 1 26 28
M  V30 30 2 27 29
M  V30 31 2 28 30
M  V30 32 1 29 30
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
402473-54-5

> <cas.index.name>
Benzenebutanoic acid, 4-cyano-2-[[2-(4-fluoro-1-naphthalenyl)-1-oxopropyl]amino]-

> <molecular.formula>
C24H21FN2O3

> <molecular.weight>
404.43

> <boiling.point.predicted>
662.4±55.0 °C    Press: 760 Torr

> <density.predicted>
1.30±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
4.69±0.10    Most Acidic Temp: 25 °C

$$$$
