3-[1-[[[1-(2-Benzofuranylmethyl)-1H-indol-7-yl]carbonyl]amino]cyclopropyl]bic...
C27H24N2O4
2455480-28-9 Copyright (C) 2023 ACS
 33 39  0  0  0  0  0  0  0  0999 V2000
    6.1667    5.3901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5005    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8342    5.3901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899    7.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4632    9.2900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7748    4.2506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501    7.1975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3894    6.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7674    8.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 13  1  0  0  0  0
  2  3  2  0  0  0  0
  2 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4 12  1  0  0  0  0
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M  END
> <cas.rn>
2455480-28-9

> <cas.index.name>
Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-[1-[[[1-(2-benzofuranylmethyl)-1H-indol-7-yl]carbonyl]amino]cyclopropyl]-

> <molecular.formula>
C27H24N2O4

> <molecular.weight>
440.49

> <boiling.point.predicted>
734.2±60.0 °C    Press: 760 Torr

> <density.predicted>
1.48±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
4.97±0.40    Most Acidic Temp: 25 °C

$$$$
