Molecule FYI-1003167

Home > Molecule

A

Molecule Summary:

ID: FYI-1003167
Names:
InChIKey: RWYMBUBQZGZFES-UHFFFAOYSA-N
SMILES: COc1c(F)cccc1c3csc(N2CCOCC2)n3

Received at FYIcenter.com on: 2023-05-18

Molecule ID: FYI-1003167 Edit

Molecule Structure InChIKey: RWYMBUBQZGZFES-UHFFFAOYSA-N

Molecule Structure SMILES String: COc1c(F)cccc1c3csc(N2CCOCC2)n3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003167
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    7.3755    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1630    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9506    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7382    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5257    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5257    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7382    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9506    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1630    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7382    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8708    5.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4382    6.3544    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0382    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6055    5.0229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2153    7.4870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    8.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    9.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    9.7522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    7.3406    0.0000 C   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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  4  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14 10  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 18  1  0  0  0  0
 20 19  1  0  0  0  0
 20 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003167-3D
FYIcenter.com

 35 37  0     0  0  0  0  0  0999 V2000
   -1.4537    2.0778   -1.1355 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3641   -2.0714   -0.1341 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3452   -1.1265    0.4751 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7784   -1.5438   -0.8293 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8703    0.1524    0.1032 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4800    0.1675    0.3084 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9407    0.3077   -0.8878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9673   -1.0472    0.9461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2964    0.1217   -0.2153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3745   -1.1601    1.5212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5997    0.6773   -0.1547 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5782    0.9337   -0.1398 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9340    0.6184    0.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2481    2.0113   -0.9346 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4971   -0.6080   -0.1453 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6909    1.5579    0.9078 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8173   -0.8950    0.2021 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0109    1.2708    1.2552 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5741    0.0444    0.9024 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8349   -1.4887   -2.2527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8079   -0.4525   -1.6676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9576    1.2893   -1.3694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2497   -1.0146    1.7742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7440   -1.9278    0.3314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0901    0.1191   -0.9692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5092    0.9360    0.4881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5804   -0.3535    2.2353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4855   -2.1103    2.0531 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8943    2.7434   -1.3993 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2709    2.5183    1.1980 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6001    2.0015    1.8015 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6018   -0.1794    1.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1824   -2.2705   -2.6511 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8556   -1.6749   -2.6014 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4842   -0.5205   -2.6231 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 14  1  0  0  0  0
  2 17  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 15  1  0  0  0  0
  4 20  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 10  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 29  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 30  1  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-12, 1496👍, 0💬