Molecule FYI-1006766

A

Molecule Summary:

ID: FYI-1006766
Names:
InChIKey: WQILIMVRGXPABZ-UHFFFAOYSA-N
SMILES: CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(N)F)c1

Received at FYIcenter.com on: 2024-01-14

Molecule ID: FYI-1006766 Edit

Molecule Structure InChIKey: WQILIMVRGXPABZ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(N)F)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006766
FYIcenter.com

 24 24  0  0  0  0  0  0  0  0999 V2000
   16.9742    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  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
  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 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  1  0  0  0  0
 20 10  1  0  0  0  0
 21 20  2  0  0  0  0
 21  7  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006766-3D
FYIcenter.com

 52 52  0  0  1  0  0  0  0  0999 V2000
    2.6159   -3.2610    0.7628 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4127   -2.7345   -0.6522 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0281   -1.3554   -0.8653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5176   -1.3308   -0.6035 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9651   -0.6033    0.2791 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2532   -2.1558   -1.4432 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6441   -2.3743   -1.3438 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3615   -2.0465   -0.2026 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7446   -2.1835   -0.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4432   -2.6788   -1.2559 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8096   -2.8045   -1.2910 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5219   -2.3024   -0.1458 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0307   -2.3930   -0.4065 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.3933   -3.7595   -0.6412 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4613   -1.5346   -1.6094 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1381   -0.1195   -1.4058 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4865    0.7325   -2.5476 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7431    0.3368   -3.8261 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1365    2.1782   -2.1845 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7297   -3.0974   -2.3978 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4509   -3.6804   -3.5996 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.1463   -4.9163   -3.2790 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5968   -3.9950   -4.6124 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3260   -2.9447   -2.4273 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1615   -4.2514    0.8619 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1535   -2.5979    1.5007 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6784   -3.3588    1.0084 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3380   -2.6744   -0.8573 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8342   -3.4517   -1.3641 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5556   -0.6293   -0.1917 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8498   -1.0050   -1.8881 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7855   -2.5304   -2.2588 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8717   -1.6747    0.6946 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2340   -1.8798    0.7610 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2753   -2.9288    0.7177 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2490   -1.2584    0.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5712   -2.0681    0.4898 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8146   -4.0779   -1.3583 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9581   -1.9341   -2.4965 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5373   -1.6635   -1.7790 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6222    0.2222   -0.5747 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5671    0.6770   -2.7257 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6603    0.3077   -3.6655 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0610   -0.6439   -4.1920 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9469    1.0539   -4.6285 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0654    2.2929   -1.9798 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3942    2.8555   -3.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6872    2.5106   -1.2976 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1547   -2.9414   -3.9965 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4377   -5.5933   -3.0108 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7012   -4.7403   -2.4439 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7836   -3.2446   -3.3215 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  2  0  0  0  0
  8  9  2  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 17  1  0  0  0  0
 16 41  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 42  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 19 48  1  0  0  0  0
 20 21  1  0  0  0  0
 20 24  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 49  1  0  0  0  0
 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
 24 52  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-01-24, 1634👍, 0💬