Molecule FYI-1004227

A

Molecule Summary:

ID: FYI-1004227
Names:
InChIKey: SJRLRWIFRZUSHX-UHFFFAOYSA-N
SMILES: O=C(CC(F)(F)F)Nc3cccc(NC(=O)c1cccc2cc(OC(=O)CC(F)(F)F)ccc12)c3

Received at FYIcenter.com on: 2023-08-23

Molecule ID: FYI-1004227 Edit

Molecule Structure InChIKey: SJRLRWIFRZUSHX-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(CC(F)(F)F)Nc3cccc(NC(=O)c1cccc2cc(OC(=O)CC(F)(F)F)ccc12)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004227
FYIcenter.com

 35 37  0  0  0  0  0  0  0  0999 V2000
    6.0622    7.0487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1871    9.6611    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7487    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.7871    7.2363    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1487    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9487    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2814    0.7368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4791    0.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6526    0.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5622    2.1724    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9944    1.1747    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.8183    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3027    2.1366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  7  4  1  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  2  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  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 27 17  1  0  0  0  0
 27 21  2  0  0  0  0
 28 13  2  0  0  0  0
 28  9  1  0  0  0  0
 24 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 29 35  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004227-3D
FYIcenter.com

 51 53  0  0  0  0  0  0  0  0999 V2000
    7.6315    5.2794    3.6088 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7885    4.9550    3.8663 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7764    6.0197    4.2219 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4667    6.5006    2.9774 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0931    5.8591    1.8538 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.2594    7.8225    2.7870 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.8056    6.3240    3.1047 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.3010    3.6625    3.8885 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5851    2.4885    3.5421 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3521    2.5396    2.8970 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6406    1.3737    2.6483 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2001    0.1428    2.9805 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    0.0412    3.5232 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1362   -1.2139    3.7312 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6927   -2.3865    3.1341 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7264   -2.4243    2.3720 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4240   -3.6808    3.2938 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7717   -4.7495    2.6235 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2033   -6.0602    2.7447 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4627   -6.2765    3.2254 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2424   -5.1717    3.5457 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5887   -5.3207    3.7408 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8549   -5.3308    5.0805 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0803   -6.6930    5.4744 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0923   -7.4214    6.6590 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1975   -6.9585    7.7758 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9526   -8.8746    6.3149 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6101   -9.3427    6.7859 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7105   -8.3512    6.9257 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.0856  -10.2186    5.8842 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.7040  -10.0067    7.9601 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.2890   -4.3113    5.8368 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2838   -3.4957    5.2055 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6330   -3.9930    3.9997 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1528    1.2325    3.8374 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4908    5.6451    4.9621 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2292    6.8401    4.7016 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2261    3.5203    4.2732 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9047    3.4713    2.5630 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6630    1.4226    2.1723 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5600   -0.7219    2.8085 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0453   -1.2077    4.1654 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8642   -4.5835    2.0414 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5883   -6.8859    2.4118 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8534   -7.2782    3.3504 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1493   -4.4855    3.2635 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7728   -9.4350    6.7689 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0414   -9.0119    5.2308 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5193   -4.2066    6.8949 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8449   -2.6839    5.7795 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1382    1.1840    4.2936 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3 36  1  0  0  0  0
  3 37  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  1  0  0  0  0
  9 35  2  0  0  0  0
 10 11  2  0  0  0  0
 10 39  1  0  0  0  0
 11 12  1  0  0  0  0
 11 40  1  0  0  0  0
 12 13  2  0  0  0  0
 12 41  1  0  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 42  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 34  2  0  0  0  0
 18 19  2  0  0  0  0
 18 43  1  0  0  0  0
 19 20  1  0  0  0  0
 19 44  1  0  0  0  0
 20 21  2  0  0  0  0
 20 45  1  0  0  0  0
 21 22  1  0  0  0  0
 21 34  1  0  0  0  0
 22 23  2  0  0  0  0
 22 46  1  0  0  0  0
 23 24  1  0  0  0  0
 23 32  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 32 33  2  0  0  0  0
 32 49  1  0  0  0  0
 33 34  1  0  0  0  0
 33 50  1  0  0  0  0
 35 51  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-10, 1039👍, 0💬