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8'-FLUORO-5'-HYDROXY-SPIRO[CYCLOHEXANE-1,4'(1'H)-QUINAZOLIN]-2'(3'H)-ONE
8'-FLUORO-5'-HYDROXY-SPIRO[CYCLOHEXANE-1,4'(1'H)-QUINAZOLIN]-2'(3'H)-ONE
ID: BP-11786
Supplier:BroadPharm

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SMILES:c12c(NC(=O)NC31CCCCC3)c(ccc2O)F	
FORMULA: C13H15FN2O2
MASS: 250.2688
EXACT MASS: 250.1117560
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      N   5      N   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.6000     0.0000 
   C   3    0.6011     1.0399     0.0000 
   C   4    1.1985     1.0375     1.0377     0.0000 
   N   5    1.0375     1.1985     0.5974     0.6000     0.0000 
   N   6    1.0399     0.6011     1.2000     0.5974     1.0377     0.0000 
   C   7    1.0398     0.6010     1.5891     1.5869     1.7995     1.0417 
   C   8    0.6010     1.0398     1.0417     1.7995     1.5869     1.5891 
   O   9    1.7996     1.5870     1.5863     0.6011     1.0399     1.0375 
   C  10    1.1985     1.0375     1.7996     2.0750     2.1600     1.5870 
   C  11    1.0375     1.1985     1.5870     2.1600     2.0750     1.7996 
   F  12    1.5878     1.0398     2.0797     1.7995     2.1629     1.2021 
   C  13    1.1985     1.5863     0.5974     1.2000     0.6000     1.5865 
   C  14    0.6000     1.2000     0.6011     1.5863     1.1985     1.5879 
   O  15    1.0398     1.5878     1.2021     2.1629     1.7995     2.0797 
   C  16    1.2000     1.8000     1.0399     2.0776     1.5863     2.1636 
   C  17    1.5863     2.0776     1.0377     1.8000     1.2000     2.1626 
   C  18    1.5879     2.1636     1.2000     2.1626     1.5865     2.4000 

              C   7      C   8      O   9      C  10      C  11      F  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.2000     0.0000 
   O   9    2.0792     2.4006     0.0000 
   C  10    0.5975     1.0378     2.6132     0.0000 
   C  11    1.0378     0.5975     2.7475     0.6000     0.0000 
   F  12    0.6000     1.8000     2.1640     1.0378     1.5865     0.0000 
   C  13    2.1629     1.5869     1.5879     2.3970     2.1600     2.6150 
   C  14    1.5878     0.6010     2.1630     1.5863     1.1985     2.1636 
   O  15    1.8000     0.6000     2.7501     1.5865     1.0378     2.4000 
   C  16    2.1636     1.0398     2.6151     2.0776     1.5863     2.7498 
   C  17    2.6150     1.7995     2.1636     2.7469     2.3970     3.1174 
   C  18    2.6163     1.5891     2.6147     2.6151     2.1630     3.1757 

              C  13      C  14      O  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    1.0375     0.0000 
   O  15    1.5869     0.6010     0.0000 
   C  16    1.1985     0.6000     0.6010     0.0000 
   C  17    0.6000     1.1985     1.5869     1.0375     0.0000 
   C  18    1.0377     1.0399     1.2021     0.6011     0.5974     0.0000 




ATOMIC CHARGES
   C   1    0.0521017454
   C   2    0.1029345594
   C   3    0.1031304398
   C   4    0.3437471606
   N   5   -0.1860325372
   N   6   -0.1588511611
   C   7    0.1553173728
   C   8    0.1946469508
   O   9   -0.2488075553
   C  10    0.0342459975
   C  11    0.0441429910
   F  12   -0.2028046206
   C  13    0.0244029573
   C  14    0.0244029573
   O  15   -0.2868064309
   C  16    0.0020475119
   C  17    0.0020475119
   C  18    0.0001341497


BOND ANGLES
   2    1    3  Car  Car   C3    119.939
   2    1    8  Car  Car  Car    119.944
   3    1    8   C3  Car  Car    120.118
   1    2    6  Car  Car  Nam    119.939
   1    2    7  Car  Car  Car    119.944
   6    2    7  Nam  Car  Car    120.118
   1    3    5  Car   C3  Nam    119.917
   1    3   13  Car   C3   C3    179.794
   1    3   14  Car   C3   C3     59.878
   5    3   13  Nam   C3   C3     60.289
   5    3   14  Nam   C3   C3    179.794
  13    3   14   C3   C3   C3    119.917
   5    4    9  Nam   C2   O2    119.939
   5    4    6  Nam   C2  Nam    120.145
   6    4    9  Nam   C2   O2    119.917
   3    5    4   C3  Nam   C2    120.145
   2    6    4  Car  Nam   C2    119.917
   2    7   12  Car  Car    F    119.944
   2    7   10  Car  Car  Car    119.917
  10    7   12  Car  Car    F    120.140
   1    8   11  Car  Car  Car    119.917
   1    8   15  Car  Car   O3    119.944
  11    8   15  Car  Car   O3    120.140
   7   10   11  Car  Car  Car    120.140
   8   11   10  Car  Car  Car    120.140
   3   13   17   C3   C3   C3    120.145
   3   14   16   C3   C3   C3    119.939
  14   16   18   C3   C3   C3    119.939
  13   17   18   C3   C3   C3    120.145
  16   18   17   C3   C3   C3    119.917


TORSION ANGLES
   6    2    1    3      0.026
   6    2    1    8    179.974
   7    2    1    3    179.974
   7    2    1    8      0.026
   5    3    1    2      0.026
   5    3    1    8    179.974
  13    3    1    2    179.974
  13    3    1    8      0.026
  14    3    1    2    179.974
  14    3    1    8      0.026
   9    4    5    3    179.974
   6    4    5    3      0.026
   4    5    3    1      0.026
   4    5    3   13    179.974
   4    5    3   14      0.026
   4    6    2    1      0.026
   4    6    2    7    179.974
  12    7    2    1    179.974
  12    7    2    6      0.026
  10    7    2    1      0.026
  10    7    2    6    179.974
  11    8    1    2      0.026
  11    8    1    3    179.974
  15    8    1    2    179.974
  15    8    1    3      0.026
   7   10   11    8      0.026
  10   11    8    1      0.026
  10   11    8   15    179.974
  17   13    3    1      0.026
  17   13    3    5    179.974
  17   13    3   14      0.026
  16   14    3    1    179.974
  16   14    3    5    179.974
  16   14    3   13      0.026
  18   16   14    3      0.026
  18   17   13    3      0.026
  17   18   16   14      0.026
   5    4    6    2      0.026
   9    4    6    2    179.974
   2    7   10   11      0.026
  12    7   10   11    179.974
  16   18   17   13      0.026