Molecule FYI-1004763

A

Molecule Summary:

ID: FYI-1004763
Names:
InChIKey: VDYRRQYRYZTLJV-KIBLKLHPSA-N
SMILES: Cc2ccc(N(/N=C/c1cccc(OC(F)(F)F)c1)C(=O)C(F)(F)F)c(C)c2

Received at FYIcenter.com on: 2023-09-23

Molecule ID: FYI-1004763 Edit

Molecule Structure InChIKey: VDYRRQYRYZTLJV-KIBLKLHPSA-N

Molecule Structure SMILES String: Cc2ccc(N(/N=C/c1cccc(OC(F)(F)F)c1)C(=O)C(F)(F)F)c(C)c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1004763
FYIcenter.com

 28 29  0  0  0  0  0  0  0  0999 V2000
    8.4871    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    6.1124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   10.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   11.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    5.4124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    2.4248    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.5124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6747    4.0124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.6124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.8747    4.0124    0.0000 F   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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 10  4  1  0  0  0  0
 11 10  1  0  0  0  0
 12  3  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  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  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 20  1  0  0  0  0
 23 20  1  0  0  0  0
 24 18  2  0  0  0  0
 24 14  1  0  0  0  0
 25  2  1  0  0  0  0
 26 25  1  0  0  0  0
 27 25  1  0  0  0  0
 28 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004763-3D
FYIcenter.com

 42 43  0     0  0  0  0  0  0999 V2000
    0.6148   -2.2963    0.0594 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4227   -4.0044   -0.8265 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3298   -3.7825    1.3352 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3046   -0.4652   -0.3993 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3942   -1.4115   -0.8792 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6948   -0.4301    1.0782 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5288    0.8704   -0.7959 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8369   -2.9136    0.2355 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6245   -0.9149    0.0324 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3483   -0.4185   -0.0650 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7688   -0.0438    0.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0191    0.7727   -1.0988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9985    1.6330   -0.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1340    1.6111   -1.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333   -0.0218    1.0987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7479    0.8166    1.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1101    0.7701   -2.2849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1904    2.5295   -0.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7696   -2.3027    0.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1139    1.4620    0.3768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1722    0.7839    0.4136 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2179    0.8330   -0.1987 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2433    2.7414    0.9174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4800   -3.0902    0.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4514    1.4835   -0.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4769    3.3917    0.8824 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5808    2.7629    0.3064 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9649   -0.3664   -0.2431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3299    2.2523   -1.9637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4475   -0.6461    1.9690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4117    0.8273    1.9508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2506    1.4252   -2.1163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7615   -0.2389   -2.5281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6318    1.1323   -3.1784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5871    2.6481   -1.0347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9994    2.1193    0.5934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9209    3.5160    0.3693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9791    1.3501    0.9116 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1309   -0.1597   -0.6326 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3927    3.2453    1.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5778    4.3878    1.3032 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5391    3.2745    0.2821 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  2 24  1  0  0  0  0
  3 24  1  0  0  0  0
  4 28  1  0  0  0  0
  5 28  1  0  0  0  0
  6 28  1  0  0  0  0
  7 25  1  0  0  0  0
  7 28  1  0  0  0  0
  8 19  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 19  1  0  0  0  0
 10 21  2  0  0  0  0
 11 12  2  0  0  0  0
 11 15  1  0  0  0  0
 12 14  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 13 18  1  0  0  0  0
 14 29  1  0  0  0  0
 15 16  2  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 38  1  0  0  0  0
 22 25  1  0  0  0  0
 22 39  1  0  0  0  0
 23 26  2  0  0  0  0
 23 40  1  0  0  0  0
 25 27  2  0  0  0  0
 26 27  1  0  0  0  0
 26 41  1  0  0  0  0
 27 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-10-05, 1130👍, 0💬