(2R,5S)-N-(6-Amino-5-methyl-3-pyridinyl)-2-(5-benzothiazolyl)-5-methyl-α-oxo-...
C21H23N5O2S
2760481-53-4 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  29 32 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 7.0573 5.3348 0.0 0
M  V30 2 C 8.5973 5.3348 0.0 0
M  V30 3 O 6.2873 6.6684 0.0 0
M  V30 4 N 9.3673 6.6684 0.0 0
M  V30 5 O 9.3673 4.0011 0.0 0
M  V30 6 C 7.0573 0.0000 0.0 0
M  V30 7 C 13.9874 9.3359 0.0 0
M  V30 8 N 15.5274 6.6684 0.0 0
M  V30 9 C 4.7473 4.0011 0.0 0 CFG=1
M  V30 10 N 6.2873 4.0011 0.0 0
M  V30 11 C 3.9772 2.6675 0.0 0
M  V30 12 C 7.0573 2.6675 0.0 0
M  V30 13 C 4.7473 1.3337 0.0 0
M  V30 14 C 6.2873 1.3337 0.0 0 CFG=1
M  V30 15 C 3.9772 5.3348 0.0 0
M  V30 16 C 2.4372 5.3348 0.0 0
M  V30 17 C 4.7473 6.6684 0.0 0
M  V30 18 C 1.6672 6.6684 0.0 0
M  V30 19 C 3.9772 8.0022 0.0 0
M  V30 20 C 2.4372 8.0022 0.0 0
M  V30 21 N 0.1609 6.9886 0.0 0
M  V30 22 S 1.4068 9.1466 0.0 0
M  V30 23 C 0.0000 8.5203 0.0 0
M  V30 24 C 10.9073 6.6684 0.0 0
M  V30 25 C 11.6773 8.0022 0.0 0
M  V30 26 C 11.6773 5.3348 0.0 0
M  V30 27 C 13.2173 8.0022 0.0 0
M  V30 28 N 13.2173 5.3348 0.0 0
M  V30 29 C 13.9874 6.6684 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 1 3
M  V30 3 1 1 10
M  V30 4 1 2 4
M  V30 5 2 2 5
M  V30 6 1 4 24
M  V30 7 1 14 6 CFG=1
M  V30 8 1 7 27
M  V30 9 1 8 29
M  V30 10 1 9 10
M  V30 11 1 9 11
M  V30 12 1 9 15 CFG=3
M  V30 13 1 10 12
M  V30 14 1 11 13
M  V30 15 1 12 14
M  V30 16 1 13 14
M  V30 17 1 15 16
M  V30 18 2 15 17
M  V30 19 2 16 18
M  V30 20 1 17 19
M  V30 21 1 18 20
M  V30 22 1 18 21
M  V30 23 2 19 20
M  V30 24 1 20 22
M  V30 25 2 21 23
M  V30 26 1 22 23
M  V30 27 1 24 25
M  V30 28 2 24 26
M  V30 29 2 25 27
M  V30 30 1 26 28
M  V30 31 1 27 29
M  V30 32 2 28 29
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(2 9 14)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
2760481-53-4

> <cas.index.name>
1-Piperidineacetamide, N-(6-amino-5-methyl-3-pyridinyl)-2-(5-benzothiazolyl)-5-methyl-α-oxo-, (2R,5S)-

> <molecular.formula>
C21H23N5O2S

> <molecular.weight>
409.51

> <density.predicted>
1.353±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
11.34±0.70    Most Acidic Temp: 25 °C

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