2-[[4-[2-(4-Chlorophenoxy)acetyl]-1-piperazinyl]methyl]-3-[4-(1-methylethoxy)...
C36H35ClN4O4
1695533-44-8 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  45 50 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 8.0021 6.9301 0.0 0
M  V30 2 O 2.6673 6.9301 0.0 0
M  V30 3 O 2.6673 5.3901 0.0 0
M  V30 4 C 1.3337 4.6201 0.0 0
M  V30 5 C 0.0000 5.3901 0.0 0
M  V30 6 C 1.3337 3.0800 0.0 0
M  V30 7 C 13.3370 10.0101 0.0 0
M  V30 8 C 14.6707 9.2401 0.0 0
M  V30 9 O 13.3369 11.5501 0.0 0
M  V30 10 O 16.0043 10.0101 0.0 0
M  V30 11 Cl 21.3391 6.9301 0.0 0
M  V30 12 N 5.3348 6.9301 0.0 0
M  V30 13 C 6.6684 7.7001 0.0 0
M  V30 14 C 4.0011 7.7001 0.0 0
M  V30 15 N 6.6684 9.2401 0.0 0
M  V30 16 C 4.0011 9.2401 0.0 0
M  V30 17 C 5.3348 10.0101 0.0 0
M  V30 18 C 2.6673 10.0101 0.0 0
M  V30 19 C 5.3348 11.5501 0.0 0
M  V30 20 C 2.6673 11.5501 0.0 0
M  V30 21 C 4.0011 12.3201 0.0 0
M  V30 22 C 5.3348 5.3901 0.0 0
M  V30 23 C 4.0011 4.6201 0.0 0
M  V30 24 C 6.6684 4.6201 0.0 0
M  V30 25 C 4.0011 3.0800 0.0 0
M  V30 26 C 6.6684 3.0800 0.0 0
M  V30 27 C 5.3348 2.3100 0.0 0
M  V30 28 N 9.3359 7.7001 0.0 0
M  V30 29 C 10.6695 6.9301 0.0 0
M  V30 30 C 9.3359 9.2401 0.0 0
M  V30 31 C 12.0032 7.7001 0.0 0
M  V30 32 C 10.6695 10.0101 0.0 0
M  V30 33 N 12.0032 9.2401 0.0 0
M  V30 34 C 8.0021 2.3100 0.0 0
M  V30 35 C 9.3359 3.0800 0.0 0
M  V30 36 C 8.0021 0.7700 0.0 0
M  V30 37 C 10.6695 2.3100 0.0 0
M  V30 38 C 9.3359 0.0000 0.0 0
M  V30 39 C 10.6695 0.7700 0.0 0
M  V30 40 C 17.3380 9.2401 0.0 0
M  V30 41 C 18.6716 10.0101 0.0 0
M  V30 42 C 17.3380 7.7001 0.0 0
M  V30 43 C 20.0054 9.2401 0.0 0
M  V30 44 C 18.6718 6.9301 0.0 0
M  V30 45 C 20.0054 7.7001 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 13
M  V30 2 1 1 28
M  V30 3 2 2 14
M  V30 4 1 3 4
M  V30 5 1 3 23
M  V30 6 1 4 5
M  V30 7 1 4 6
M  V30 8 1 7 8
M  V30 9 2 7 9
M  V30 10 1 7 33
M  V30 11 1 8 10
M  V30 12 1 10 40
M  V30 13 1 11 45
M  V30 14 1 12 13
M  V30 15 1 12 14
M  V30 16 1 12 22
M  V30 17 2 13 15
M  V30 18 1 14 16
M  V30 19 1 15 17
M  V30 20 1 16 17
M  V30 21 2 16 18
M  V30 22 2 17 19
M  V30 23 1 18 20
M  V30 24 1 19 21
M  V30 25 2 20 21
M  V30 26 2 22 23
M  V30 27 1 22 24
M  V30 28 1 23 25
M  V30 29 2 24 26
M  V30 30 2 25 27
M  V30 31 1 26 27
M  V30 32 1 26 34
M  V30 33 1 28 29
M  V30 34 1 28 30
M  V30 35 1 29 31
M  V30 36 1 30 32
M  V30 37 1 31 33
M  V30 38 1 32 33
M  V30 39 2 34 35
M  V30 40 1 34 36
M  V30 41 1 35 37
M  V30 42 2 36 38
M  V30 43 2 37 39
M  V30 44 1 38 39
M  V30 45 2 40 41
M  V30 46 1 40 42
M  V30 47 1 41 43
M  V30 48 2 42 44
M  V30 49 2 43 45
M  V30 50 1 44 45
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
1695533-44-8

> <cas.index.name>
4(3H)-Quinazolinone, 2-[[4-[2-(4-chlorophenoxy)acetyl]-1-piperazinyl]methyl]-3-[4-(1-methylethoxy)[1,1′-biphenyl]-3-yl]-

> <molecular.formula>
C36H35ClN4O4

> <molecular.weight>
623.14

> <boiling.point.predicted>
807.0±75.0 °C    Press: 760 Torr

> <density.predicted>
1.26±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
5.05±0.10    Most Basic Temp: 25 °C

$$$$
