
 CHEMBL597222

 38 40  0  0  0  0  0  0  0  0999 V2000
    4.9983    0.1400   -1.4170 C   0  0  0  0  0
    4.4709    1.4713   -1.2277 N   0  0  0  0  0
    3.3303    1.7560   -0.3587 C   0  0  0  0  0
    2.9987    3.1674   -0.8587 C   0  0  0  0  0
    2.0395    3.8504   -0.5334 O   0  0  0  0  0
    3.9531    3.5652   -1.7396 N   0  0  0  0  0
    4.7781    2.5381   -2.0518 C   0  0  0  0  0
    5.6075    2.5573   -2.9429 O   0  0  0  0  0
    3.7328    1.7566    1.1156 C   0  0  0  0  0
    2.5796    1.9318    2.0730 C   0  0  0  0  0
    1.8127    0.8308    2.4789 C   0  0  0  0  0
    0.7756    0.9959    3.3991 C   0  0  0  0  0
    0.5158    2.2607    3.9311 C   0  0  0  0  0
    1.2300    3.3708    3.4908 C   0  0  0  0  0
    2.2649    3.2049    2.5715 C   0  0  0  0  0
   -0.4606    2.4697    4.8753 O   0  0  0  0  0
   -0.3865    1.7368    6.0437 C   0  0  0  0  0
   -1.5844    1.4233    6.7000 C   0  0  0  0  0
   -1.5692    0.6855    7.8862 C   0  0  0  0  0
   -0.3527    0.2700    8.4225 C   0  0  0  0  0
    0.8478    0.6019    7.7980 C   0  0  0  0  0
    0.8327    1.3472    6.6174 C   0  0  0  0  0
   -0.3292   -0.6566    9.8712 Cl  0  0  0  0  0
   -3.1131    1.9224    6.0687 Cl  0  0  0  0  0
    5.8953    0.1704   -2.0417 H   0  0  0  0  0
    4.2387   -0.4689   -1.9143 H   0  0  0  0  0
    5.2471   -0.2968   -0.4473 H   0  0  0  0  0
    2.5111    1.0727   -0.6051 H   0  0  0  0  0
    3.9239    4.4298   -2.2522 H   0  0  0  0  0
    4.4811    2.5377    1.3080 H   0  0  0  0  0
    4.2377    0.8145    1.3663 H   0  0  0  0  0
    2.0242   -0.1646    2.0949 H   0  0  0  0  0
    0.1868    0.1373    3.7101 H   0  0  0  0  0
    0.9941    4.3602    3.8722 H   0  0  0  0  0
    2.8216    4.0810    2.2441 H   0  0  0  0  0
   -2.5004    0.4359    8.3872 H   0  0  0  0  0
    1.7979    0.2874    8.2234 H   0  0  0  0  0
    1.7799    1.6149    6.1553 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  3 28  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 30  1  0  0  0
  9 31  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 32  1  0  0  0
 12 13  2  0  0  0
 12 33  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 34  1  0  0  0
 15 35  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 24  1  0  0  0
 19 20  2  0  0  0
 19 36  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 21 22  2  0  0  0
 21 37  1  0  0  0
 22 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL597222

>  <PubChem CID>
46231389

>  <Formula>
C17H14Cl2N2O3

>  <Molecular Weight>
365.210000

>  <IUPAC Name>
5-[[4-(2,4-dichlorophenoxy)phenyl]methyl]-1-methylimidazolidine-2,4-dione

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN1C(C(=O)NC1=O)CC2=CC=C(C=C2)OC3=C(C=C(C=C3)Cl)Cl

>  <Isomeric SMILES>
CN1C(C(=O)NC1=O)CC2=CC=C(C=C2)OC3=C(C=C(C=C3)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C17H14Cl2N2O3/c1-21-14(16(22)20-17(21)23)8-10-2-5-12(6-3-10)24-15-7-4-11(18)9-13(15)19/h2-7,9,14H,8H2,1H3,(H,20,22,23)

>  <InChI Key>
ADEZZPOFGABOAN-UHFFFAOYSA-N

