13H-17,20-Methano-8,12-nitrilo-12H-pyrido[3,2-d][1,2,6,13]thiatriazacycloocta...
C32H39N7O4S
2374124-49-7 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  45 52 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 18.5373 7.0022 0.0 0
M  V30 2 C 17.2036 6.2322 0.0 0
M  V30 3 O 15.8699 7.0022 0.0 0
M  V30 4 C 9.4733 1.2426 0.0 0
M  V30 5 C 9.4696 3.3113 0.0 0
M  V30 6 O 5.0273 5.0463 0.0 0
M  V30 7 O 4.6748 9.4944 0.0 0
M  V30 8 O 2.7828 9.1784 0.0 0
M  V30 9 C 21.4109 6.2322 0.0 0
M  V30 10 C 20.6409 4.8986 0.0 0
M  V30 11 C 19.8709 6.2322 0.0 0
M  V30 12 C 22.9509 6.2322 0.0 0
M  V30 13 C 22.1809 7.5659 0.0 0
M  V30 14 C 19.8709 3.5648 0.0 0
M  V30 15 C 21.4109 3.5648 0.0 0
M  V30 16 C 14.5362 6.2322 0.0 0
M  V30 17 N 13.1294 6.8585 0.0 0
M  V30 18 C 14.3753 4.7007 0.0 0
M  V30 19 N 12.0989 5.7142 0.0 0
M  V30 20 C 12.8689 4.3805 0.0 0
M  V30 21 C 10.5673 5.8751 0.0 0
M  V30 22 N 9.6621 4.6292 0.0 0
M  V30 23 C 9.9410 7.2820 0.0 0
M  V30 24 C 8.1306 4.7902 0.0 0
M  V30 25 C 8.4095 7.4430 0.0 0
M  V30 26 N 7.4003 3.5238 0.0 0 CFG=3
M  V30 27 C 7.5043 6.1971 0.0 0
M  V30 28 C 8.3305 2.2750 0.0 0
M  V30 29 C 5.9630 3.0818 0.0 0
M  V30 30 C 5.9304 6.2938 0.0 0
M  V30 31 C 7.4057 1.0246 0.0 0
M  V30 32 C 5.9384 1.5271 0.0 0 CFG=1
M  V30 33 N 5.3557 7.7360 0.0 0
M  V30 34 C 4.6818 0.6856 0.0 0
M  V30 35 S 3.9272 8.1480 0.0 0 VAL=6
M  V30 36 C 3.2543 1.2583 0.0 0
M  V30 37 C 2.6842 7.2762 0.0 0
M  V30 38 C 3.0099 2.7794 0.0 0
M  V30 39 N 2.7366 5.7376 0.0 0
M  V30 40 C 1.3170 8.0114 0.0 0
M  V30 41 N 1.5585 3.3457 0.0 0
M  V30 42 C 1.4130 4.9117 0.0 0
M  V30 43 C 0.0000 7.1943 0.0 0
M  V30 44 C 0.0493 5.6446 0.0 0
M  V30 45 H 6.1381 0.0000 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 11
M  V30 3 1 2 3
M  V30 4 1 3 16
M  V30 5 1 4 28
M  V30 6 1 5 28
M  V30 7 2 6 30
M  V30 8 2 7 35
M  V30 9 2 8 35
M  V30 10 1 9 10
M  V30 11 1 9 11
M  V30 12 1 9 12
M  V30 13 1 9 13
M  V30 14 1 10 11
M  V30 15 1 10 14
M  V30 16 1 10 15
M  V30 17 1 12 13
M  V30 18 1 14 15
M  V30 19 2 16 17
M  V30 20 1 16 18
M  V30 21 1 17 19
M  V30 22 2 18 20
M  V30 23 1 19 20
M  V30 24 1 19 21
M  V30 25 1 21 22
M  V30 26 2 21 23
M  V30 27 2 22 24
M  V30 28 1 23 25
M  V30 29 1 24 26
M  V30 30 1 24 27
M  V30 31 2 25 27
M  V30 32 1 26 28
M  V30 33 1 26 29
M  V30 34 1 27 30
M  V30 35 1 28 31
M  V30 36 1 29 32
M  V30 37 1 30 33
M  V30 38 1 31 32
M  V30 39 1 32 34
M  V30 40 1 32 45 CFG=1
M  V30 41 1 33 35
M  V30 42 1 34 36
M  V30 43 1 35 37
M  V30 44 1 36 38
M  V30 45 1 37 39
M  V30 46 2 37 40
M  V30 47 1 38 41
M  V30 48 1 39 42
M  V30 49 1 40 43
M  V30 50 2 41 42
M  V30 51 1 42 44
M  V30 52 2 43 44
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 32)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
2374124-49-7

> <cas.index.name>
13H-17,20-Methano-8,12-nitrilo-12H-pyrido[3,2-d][1,2,6,13]thiatriazacyclooctadecin-5(6H)-one, 2-[3-(2-dispiro[2.0.2.1]hept-7-ylethoxy)-1H-pyrazol-1-yl]-14,15,16,17,18,19-hexahydro-19,19-dimethyl-, 7,7-dioxide, (17S)-

> <molecular.formula>
C32H39N7O4S

> <molecular.weight>
617.76

> <density.predicted>
1.53±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
2.56±0.40    Most Acidic Temp: 25 °C

$$$$
