Litronesib
C23H37N5O4S2
910634-41-2 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  34 35 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 9.2784 4.6380 0.0 0
M  V30 2 N 10.6122 5.4080 0.0 0
M  V30 3 S 11.9459 4.6380 0.0 0 VAL=6
M  V30 4 C 13.2796 3.8679 0.0 0
M  V30 5 O 12.7159 5.9716 0.0 0
M  V30 6 O 11.1759 3.3043 0.0 0
M  V30 7 C 14.6132 4.6380 0.0 0
M  V30 8 N 15.9470 3.8679 0.0 0
M  V30 9 C 17.2807 4.6380 0.0 0
M  V30 10 C 18.6144 3.8679 0.0 0
M  V30 11 C 8.0884 2.6675 0.0 0
M  V30 12 C 7.3184 1.3337 0.0 0
M  V30 13 O 9.6284 2.6675 0.0 0
M  V30 14 C 5.9846 2.1037 0.0 0
M  V30 15 C 6.5484 0.0000 0.0 0
M  V30 16 C 8.6521 0.5637 0.0 0
M  V30 17 N 4.0597 6.2949 0.0 0
M  V30 18 C 2.8138 5.3897 0.0 0
M  V30 19 C 1.4068 6.0160 0.0 0
M  V30 20 O 2.9747 3.8581 0.0 0
M  V30 21 C 0.7805 4.6092 0.0 0
M  V30 22 C 0.0000 6.6425 0.0 0
M  V30 23 C 2.0333 7.4230 0.0 0
M  V30 24 C 7.9447 5.4080 0.0 0 CFG=1
M  V30 25 N 7.3184 4.0012 0.0 0
M  V30 26 S 6.8003 6.4386 0.0 0
M  V30 27 N 5.7868 4.1621 0.0 0
M  V30 28 C 5.4665 5.6686 0.0 0
M  V30 29 C 8.8500 6.6539 0.0 0
M  V30 30 C 10.3815 6.4929 0.0 0
M  V30 31 C 8.2236 8.0608 0.0 0
M  V30 32 C 11.2868 7.7388 0.0 0
M  V30 33 C 9.1287 9.3067 0.0 0
M  V30 34 C 10.6604 9.1458 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 24 1 CFG=3
M  V30 3 1 2 3
M  V30 4 1 3 4
M  V30 5 2 3 5
M  V30 6 2 3 6
M  V30 7 1 4 7
M  V30 8 1 7 8
M  V30 9 1 8 9
M  V30 10 1 9 10
M  V30 11 1 11 12
M  V30 12 2 11 13
M  V30 13 1 11 25
M  V30 14 1 12 14
M  V30 15 1 12 15
M  V30 16 1 12 16
M  V30 17 1 17 18
M  V30 18 1 17 28
M  V30 19 1 18 19
M  V30 20 2 18 20
M  V30 21 1 19 21
M  V30 22 1 19 22
M  V30 23 1 19 23
M  V30 24 1 24 25
M  V30 25 1 24 26
M  V30 26 1 24 29 CFG=1
M  V30 27 1 25 27
M  V30 28 1 26 28
M  V30 29 2 27 28
M  V30 30 2 29 30
M  V30 31 1 29 31
M  V30 32 1 30 32
M  V30 33 2 31 33
M  V30 34 2 32 34
M  V30 35 1 33 34
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 24)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
910634-41-2

> <cas.index.name>
Propanamide, N-[4-(2,2-dimethyl-1-oxopropyl)-5-[[[[2-(ethylamino)ethyl]sulfonyl]amino]methyl]-4,5-dihydro-5-phenyl-1,3,4-thiadiazol-2-yl]-2,2-dimethyl-, (5R)-

> <molecular.formula>
C23H37N5O4S2

> <molecular.weight>
511.70

> <density.predicted>
1.23±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
9.47±0.40    Most Acidic Temp: 25 °C

$$$$
