1-[2-(2-Chlorophenyl)ethyl]-4-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]piper...
C20H20Cl2N4S
1417823-67-6 Copyright (C) 2024 ACS
 27 30  0  0  0  0  0  0  0  0999 V2000
    5.3347    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2332    5.2642    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3336    4.6200    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.6695    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0764    4.7636    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8304    6.9216    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.1069    5.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3368    7.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358    4.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684    3.0800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6384    5.7472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5436    6.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2649    4.3402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0751    6.8321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7964    4.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7016    5.4251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  2 22  1  0  0  0  0
  3 21  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  2  0  0  0  0
  8 16  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
> <cas.rn>
1417823-67-6

> <cas.index.name>
Piperazine, 1-[2-(2-chlorophenyl)ethyl]-4-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]-

> <molecular.formula>
C20H20Cl2N4S

> <molecular.weight>
419.37

> <boiling.point.predicted>
549.325±60.00 °C    Press: 760.00 Torr

> <density.predicted>
1.326±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
6.705±0.10    Most Basic Temp: 25 °C

$$$$
