2H-1,4-Benzoxazine-7-carboxamide, N-[[4-[[[4-[[(6-aminohexyl)amino]carbonyl]p...
C33H37N5O5
2929304-60-7 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  43 47 0 0 0
M  V30 BEGIN ATOM
M  V30 1 N 6.9300 2.8736 0.0 0
M  V30 2 C 5.3900 2.8736 0.0 0
M  V30 3 C 7.7000 4.2074 0.0 0
M  V30 4 O 4.6200 1.5400 0.0 0
M  V30 5 C 13.8600 4.2074 0.0 0
M  V30 6 N 14.6300 5.5411 0.0 0
M  V30 7 O 14.6300 2.8736 0.0 0
M  V30 8 O 0.0000 9.5421 0.0 0
M  V30 9 C 20.7900 5.5411 0.0 0
M  V30 10 N 21.5600 6.8747 0.0 0
M  V30 11 O 21.5600 4.2074 0.0 0
M  V30 12 C 23.1000 6.8747 0.0 0
M  V30 13 C 23.8700 8.2084 0.0 0
M  V30 14 C 25.4100 8.2084 0.0 0
M  V30 15 C 26.1800 9.5421 0.0 0
M  V30 16 C 27.7200 9.5421 0.0 0
M  V30 17 C 28.4900 10.8758 0.0 0
M  V30 18 N 30.0300 10.8758 0.0 0
M  V30 19 C 7.7000 1.5400 0.0 0
M  V30 20 C 9.0336 0.7700 0.0 0
M  V30 21 C 7.7000 0.0000 0.0 0
M  V30 22 C 4.6200 4.2074 0.0 0
M  V30 23 C 3.0800 4.2074 0.0 0
M  V30 24 C 5.3900 5.5411 0.0 0
M  V30 25 C 2.3100 5.5411 0.0 0
M  V30 26 C 4.6200 6.8747 0.0 0
M  V30 27 C 3.0800 6.8747 0.0 0
M  V30 28 O 0.7700 5.5411 0.0 0
M  V30 29 N 2.3100 8.2084 0.0 0
M  V30 30 C 0.0000 6.8747 0.0 0
M  V30 31 C 0.7700 8.2084 0.0 0
M  V30 32 C 9.2400 4.2074 0.0 0
M  V30 33 C 10.0100 5.5411 0.0 0
M  V30 34 C 10.0100 2.8736 0.0 0
M  V30 35 C 11.5500 5.5411 0.0 0
M  V30 36 C 11.5500 2.8736 0.0 0
M  V30 37 C 12.3200 4.2074 0.0 0
M  V30 38 C 16.1700 5.5411 0.0 0
M  V30 39 C 16.9400 4.2074 0.0 0
M  V30 40 C 16.9400 6.8747 0.0 0
M  V30 41 C 18.4800 4.2074 0.0 0
M  V30 42 C 18.4800 6.8747 0.0 0
M  V30 43 C 19.2500 5.5411 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 19
M  V30 4 2 2 4
M  V30 5 1 2 22
M  V30 6 1 3 32
M  V30 7 1 5 6
M  V30 8 2 5 7
M  V30 9 1 5 37
M  V30 10 1 6 38
M  V30 11 2 8 31
M  V30 12 1 9 10
M  V30 13 2 9 11
M  V30 14 1 9 43
M  V30 15 1 10 12
M  V30 16 1 12 13
M  V30 17 1 13 14
M  V30 18 1 14 15
M  V30 19 1 15 16
M  V30 20 1 16 17
M  V30 21 1 17 18
M  V30 22 1 19 20
M  V30 23 1 19 21
M  V30 24 1 20 21
M  V30 25 1 22 23
M  V30 26 2 22 24
M  V30 27 2 23 25
M  V30 28 1 24 26
M  V30 29 1 25 27
M  V30 30 1 25 28
M  V30 31 2 26 27
M  V30 32 1 27 29
M  V30 33 1 28 30
M  V30 34 1 29 31
M  V30 35 1 30 31
M  V30 36 2 32 33
M  V30 37 1 32 34
M  V30 38 1 33 35
M  V30 39 2 34 36
M  V30 40 2 35 37
M  V30 41 1 36 37
M  V30 42 2 38 39
M  V30 43 1 38 40
M  V30 44 1 39 41
M  V30 45 2 40 42
M  V30 46 2 41 43
M  V30 47 1 42 43
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
2929304-60-7

> <cas.index.name>
2H-1,4-Benzoxazine-7-carboxamide, N-[[4-[[[4-[[(6-aminohexyl)amino]carbonyl]phenyl]amino]carbonyl]phenyl]methyl]-N-cyclopropyl-3,4-dihydro-3-oxo-

> <molecular.formula>
C33H37N5O5

> <molecular.weight>
583.68

> <boiling.point.predicted>
821.9±65.0 °C    Press: 760 Torr

> <density.predicted>
1.32±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
12.19±0.20    Most Acidic Temp: 25 °C

$$$$
