Molecule FYI-1001337

Home > Molecule

A

Molecule Summary:

ID: FYI-1001337
SMILES: N1=C(C(C(=O)N1c1ccc(cc1)F)Cc1ccc(cc1)C(=O)O)c1ccccc1

Received at FYIcenter.com on: 2022-05-24

Molecule ID: FYI-1001337 Edit

Molecule Structure SMILES String: N1=C(C(C(=O)N1c1ccc(cc1)F)Cc1ccc(cc1)C(=O)O)c1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001337
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    9.4903    6.3283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5536    7.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.7992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    5.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3805    4.4701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7903    5.1159    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3598    3.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5369    2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1063    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4986    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3215    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7521    3.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0681    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.4992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.7992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.4992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.7992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.3992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.3992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.2992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8446    8.7381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1762    9.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4672   10.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4268   11.4769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0954   11.0443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8043    9.6748    0.0000 C   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  4  1  0  0  0  0
  6  1  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  2  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14  3  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  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
 20 15  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 24  2  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 29 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001337-3D
FYIcenter.com

 46 49  0  0  1  0  0  0  0  0999 V2000
   -1.3697   -0.7302   -0.0024 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4882    0.5635   -0.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1634    1.2985    0.0319 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7927    0.1258    0.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0107    0.2148    0.0652 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0248   -1.0106    0.0596 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3870   -2.3654    0.0901 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7161   -2.7209    0.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1046   -4.0624    0.4245 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1678   -5.0584    0.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500   -4.7384   -0.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5402   -3.3960   -0.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5408   -6.3429    0.2528 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0199    2.1724    1.2804 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3415    2.9240    1.2832 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6680    3.7998    0.2366 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9341    4.3898    0.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8900    4.1169    1.1491 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5488    3.3096    2.2380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2832    2.7150    2.3037 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2633    4.6781    1.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9106    4.9755    2.0721 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7438    4.7872   -0.1747 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7994    1.2308   -0.1939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9535    0.5447    0.2045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2156    1.1031   -0.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3256    2.3430   -0.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1773    3.0273   -1.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9102    2.4776   -0.8124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0107    1.8406   -0.9062 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4753   -1.9705    0.5661 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1308   -4.3274    0.6579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8665   -5.5311   -0.2920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5757   -3.1630   -0.3851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0493    1.5499    2.1835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7890    2.9082    1.3635 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9476    4.0120   -0.5497 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1539    5.0629   -0.6601 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2763    3.1218    3.0267 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0573    2.0615    3.1448 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2229    4.3161   -0.8511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8819   -0.4345    0.6736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1091    0.5655    0.2943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3084    2.7701   -0.8276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2730    3.9845   -1.5499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0399    3.0185   -1.1696 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  3 30  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
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 17  2  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  2  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  1  0  0  0  0
 24 29  2  0  0  0  0
 25 26  2  0  0  0  0
 25 42  1  0  0  0  0
 26 27  1  0  0  0  0
 26 43  1  0  0  0  0
 27 28  2  0  0  0  0
 27 44  1  0  0  0  0
 28 29  1  0  0  0  0
 28 45  1  0  0  0  0
 29 46  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-07-01, 2774👍, 0💬