(3aS,4S,6aR)-N-[2-[2-[2-(2-Azidoethoxy)ethoxy]ethoxy]ethyl]hexahydro-2-oxo-1H...
C18H32N6O5S
875770-34-6 Copyright (C) 2025 ACS
 32 33  0  0  1  0  0  0  0  0999 V2000
    6.1615    2.6218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4952    1.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8289    2.6218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1627    1.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4964    2.6218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8300    1.8517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4964    4.1618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1637    2.6218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4975    1.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8312    2.6218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1649    1.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4985    2.6218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8323    1.8517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.1660    2.6218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4997    1.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8334    2.6218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1672    1.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5008    2.6218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8345    1.8517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1682    2.6218    0.0000 N   0  3  0  0  0  4  0  0  0  0  0  0
   31.5020    3.3918    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4209    2.4782    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3904    1.3337    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8279    1.8517    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6509    3.8119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1605    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9835    1.9602    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6668    0.3202    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1446    3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4515    3.6226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3600    0.1893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
 25  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  2  0  0  0  0
 22 30  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 23 31  1  1  0  0  0
 24 27  1  0  0  0  0
 24 28  1  0  0  0  0
 24 32  1  1  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
M  CHG  2  20   1  21  -1
M  END
> <cas.rn>
875770-34-6

> <cas.index.name>
1H-Thieno[3,4-d]imidazole-4-pentanamide, N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]hexahydro-2-oxo-, (3aS,4S,6aR)-

> <molecular.formula>
C18H32N6O5S

> <molecular.weight>
444.55

> <melting.point.experimental>
119-120 °C

> <pka.predicted>
13.896±0.40    Most Acidic Temp: 25 °C

$$$$
