Molecule FYI-1004220

A

Molecule Summary:

ID: FYI-1004220
Names:
InChIKey: BOIDMZPWNXCVIM-UHFFFAOYSA-N
SMILES: O=C(CC(F)(F)F)Nc3cccc(NC(=O)c1cccc2cc(O)ccc12)c3

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

Molecule ID: FYI-1004220 Edit

Molecule Structure InChIKey: BOIDMZPWNXCVIM-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1004220
FYIcenter.com

 28 30  0  0  0  0  0  0  0  0999 V2000
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0871    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.8870    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   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
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 N   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
    2.4248    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 O   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  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  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  2  0  0  0  0
 15 14  1  0  0  0  0
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 17 16  1  0  0  0  0
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 25 10  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27  8  1  0  0  0  0
 28  6  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004220-3D
FYIcenter.com

 43 45  0  0  0  0  0  0  0  0999 V2000
    2.4990    1.3666    0.4324 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2109    0.2233    0.7563 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7705   -0.1863    0.7790 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1932   -0.0460    2.1635 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0730    0.4046    3.0739 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8657    0.7834    2.1628 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2454   -1.2499    2.5993 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000   -0.8054    1.1014 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5196   -0.7283    1.1312 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2036    0.4426    0.8108 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5988    0.4781    0.8353 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3141   -0.6519    1.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6750   -1.8373    1.5849 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3828   -2.9757    2.0542 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7377   -2.9840    2.4025 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5111   -2.0390    2.3194 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2616   -4.2027    3.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2003   -3.9622    4.1174 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7012   -4.9961    4.8976 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1412   -6.2519    4.7704 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2048   -6.4967    3.7486 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6506   -7.7714    3.6747 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3686   -8.2838    2.4262 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3391   -9.6452    2.2786 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2217   -7.4209    1.3763 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3432   -6.0403    1.5611 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8962   -5.5372    2.7772 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2636   -1.8702    1.5111 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6540   -1.2100    0.4081 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2293    0.4571    0.0748 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7049   -1.7044    1.3505 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6975    1.3608    0.5345 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1158    1.3920    0.5733 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3985   -0.5626    1.1880 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8340   -3.7852    2.3002 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5632   -2.9524    4.3016 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4981   -4.8194    5.6154 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5097   -7.0708    5.3906 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0723   -8.1251    4.5061 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8402  -10.0281    3.0403 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9894   -7.8293    0.3744 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1598   -5.3702    0.7264 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7415   -2.7786    1.7894 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 29  1  0  0  0  0
  3 30  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 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  2  0  0  0  0
 10 11  2  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  2  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
 14 35  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 27  2  0  0  0  0
 18 19  2  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  2  0  0  0  0
 20 38  1  0  0  0  0
 21 22  1  0  0  0  0
 21 27  1  0  0  0  0
 22 23  2  0  0  0  0
 22 39  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 40  1  0  0  0  0
 25 26  2  0  0  0  0
 25 41  1  0  0  0  0
 26 27  1  0  0  0  0
 26 42  1  0  0  0  0
 28 43  1  0  0  0  0
M  END
$$$$

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2023-09-10, 3093👍, 0💬