Molecule FYI-1006651

A

Molecule Summary:

ID: FYI-1006651
Names:
InChIKey: FOZZAHVBOAMMHT-UHFFFAOYSA-N
SMILES: Cc3c(c1cccc(F)c1)c(=O)oc4cc(OCCn2ccnn2)ccc34

Received at FYIcenter.com on: 2024-01-09

Molecule ID: FYI-1006651 Edit

Molecule Structure InChIKey: FOZZAHVBOAMMHT-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3c(c1cccc(F)c1)c(=O)oc4cc(OCCn2ccnn2)ccc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1006651
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
   10.7029    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    4.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.5166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    2.8077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3402    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5526    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5526    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7650    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.3402    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 15  1  0  0  0  0
 20 11  2  0  0  0  0
 20  7  1  0  0  0  0
 21  3  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 25  2  0  0  0  0
 27 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006651-3D
FYIcenter.com

 43 46  0  0  0  0  0  0  0  0999 V2000
   -0.2634   -2.9992   -0.0734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5578   -1.5205   -0.0211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8082   -0.9914   -0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0063   -1.8581   -0.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5855   -2.2305   -1.2471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6986   -3.0749   -1.2763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2381   -3.5537   -0.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6709   -3.1713    1.1266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1903   -3.6362    2.2709 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5669   -2.3251    1.1709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0365    0.4830    0.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1629    0.9687    0.0378 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9165    1.2950   -0.0091 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3820    0.7637   -0.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4210    1.6992   -0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7439    1.2673    0.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8444    2.0894    0.0066 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6329    3.3677    0.6214 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9085    4.2022    0.5715 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7233    5.4942    1.1965 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3839    6.0281    2.2622 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7999    7.2641    2.4221 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8283    7.4344    1.4793 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7942    6.3450    0.7242 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9996   -0.1045    0.0057 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9429   -1.0323    0.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6045   -0.6085   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1561   -3.6270   -0.1680 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2525   -3.3191    0.8392 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3655   -3.2346   -0.9373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1748   -1.8617   -2.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1428   -3.3578   -2.2275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0973   -4.2171   -0.0897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1602   -2.0405    2.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1526    2.7497   -0.0371 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3353    3.2131    1.6668 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8471    3.9165    0.0943 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2187    4.3809   -0.4643 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7352    3.6862    1.0713 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1734    5.5192    2.7912 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0209    8.0306    3.1507 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0262   -0.4635    0.0100 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2016   -2.0870    0.0238 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  2  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  2  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  2  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 27  2  0  0  0  0
 15 16  2  0  0  0  0
 15 35  1  0  0  0  0
 16 17  1  0  0  0  0
 16 25  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 21  1  0  0  0  0
 20 24  1  0  0  0  0
 21 22  2  0  0  0  0
 21 40  1  0  0  0  0
 22 23  1  0  0  0  0
 22 41  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  2  0  0  0  0
 25 42  1  0  0  0  0
 26 27  1  0  0  0  0
 26 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-01-15, 2103👍, 0💬