N-[(1S,1aS,6bS)-1a,6b-Dihydro-5-[(5,6,7,8-tetrahydro-7-oxo-1,8-naphthyridin-4...
C24H17F3N4O4
1643326-82-2 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  37 42 0 0 1
M  V30 BEGIN ATOM
M  V30 1 N 14.9117 2.0892 0.0 0
M  V30 2 C 16.3187 2.7155 0.0 0
M  V30 3 N 17.5646 1.8103 0.0 0
M  V30 4 O 16.4796 4.2471 0.0 0
M  V30 5 O 6.6686 2.8612 0.0 0
M  V30 6 F 20.0563 0.0000 0.0 0
M  V30 7 F 20.7002 6.1262 0.0 0
M  V30 8 F 23.1921 4.3159 0.0 0
M  V30 9 O 0.0000 0.5512 0.0 0
M  V30 10 C 12.1343 3.1554 0.0 0 CFG=1
M  V30 11 C 13.0395 4.4012 0.0 0 CFG=2
M  V30 12 C 13.6659 2.9944 0.0 0 CFG=2
M  V30 13 C 10.6696 3.6312 0.0 0
M  V30 14 O 12.1343 5.6471 0.0 0
M  V30 15 C 10.6696 5.1712 0.0 0
M  V30 16 C 9.3359 2.8612 0.0 0
M  V30 17 C 9.3359 5.9413 0.0 0
M  V30 18 C 8.0023 3.6312 0.0 0
M  V30 19 C 8.0023 5.1712 0.0 0
M  V30 20 C 18.9714 2.4368 0.0 0
M  V30 21 C 20.2174 1.5316 0.0 0
M  V30 22 C 19.1325 3.9683 0.0 0
M  V30 23 C 21.6242 2.1579 0.0 0
M  V30 24 C 20.5393 4.5947 0.0 0
M  V30 25 C 21.7852 3.6894 0.0 0
M  V30 26 C 5.3348 3.6312 0.0 0
M  V30 27 C 4.0011 2.8612 0.0 0
M  V30 28 C 5.3348 5.1712 0.0 0
M  V30 29 C 2.6675 3.6312 0.0 0
M  V30 30 C 4.0011 1.3212 0.0 0
M  V30 31 C 4.0011 5.9413 0.0 0
M  V30 32 N 2.6675 5.1712 0.0 0
M  V30 33 N 1.3338 2.8612 0.0 0
M  V30 34 C 2.6675 0.5512 0.0 0
M  V30 35 C 1.3338 1.3212 0.0 0
M  V30 36 H 11.8141 1.6489 0.0 0
M  V30 37 H 14.3732 5.1712 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 12 1 CFG=1
M  V30 3 1 2 3
M  V30 4 2 2 4
M  V30 5 1 3 20
M  V30 6 1 5 18
M  V30 7 1 5 26
M  V30 8 1 6 21
M  V30 9 1 7 24
M  V30 10 1 8 25
M  V30 11 2 9 35
M  V30 12 1 10 11
M  V30 13 1 10 12
M  V30 14 1 10 13
M  V30 15 1 10 36 CFG=1
M  V30 16 1 11 12
M  V30 17 1 11 14
M  V30 18 1 11 37 CFG=1
M  V30 19 1 13 15
M  V30 20 2 13 16
M  V30 21 1 14 15
M  V30 22 2 15 17
M  V30 23 1 16 18
M  V30 24 1 17 19
M  V30 25 2 18 19
M  V30 26 2 20 21
M  V30 27 1 20 22
M  V30 28 1 21 23
M  V30 29 2 22 24
M  V30 30 2 23 25
M  V30 31 1 24 25
M  V30 32 2 26 27
M  V30 33 1 26 28
M  V30 34 1 27 29
M  V30 35 1 27 30
M  V30 36 2 28 31
M  V30 37 1 29 32
M  V30 38 2 29 33
M  V30 39 1 30 34
M  V30 40 1 31 32
M  V30 41 1 33 35
M  V30 42 1 34 35
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(3 10 11 12)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
1643326-82-2

> <cas.index.name>
Urea, N-[(1S,1aS,6bS)-1a,6b-dihydro-5-[(5,6,7,8-tetrahydro-7-oxo-1,8-naphthyridin-4-yl)oxy]-1H-cyclopropa[b]benzofuran-1-yl]-N′-(2,4,5-trifluorophenyl)-

> <molecular.formula>
C24H17F3N4O4

> <molecular.weight>
482.41

> <density.predicted>
1.70±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
11.74±0.70    Most Acidic Temp: 25 °C

$$$$
