
 CHEMBL2346767

 51 53  0  0  0  0  0  0  0  0999 V2000
   -0.4915    7.0798   -4.3007 C   0  0  0  0  0
    0.3927    7.7632   -5.1847 O   0  0  0  0  0
    1.7233    7.5435   -4.9575 C   0  0  0  0  0
    2.5814    8.5620   -5.3702 C   0  0  0  0  0
    3.9579    8.4636   -5.1444 C   0  0  0  0  0
    4.4915    7.3397   -4.5055 C   0  0  0  0  0
    3.6348    6.2952   -4.1539 C   0  0  0  0  0
    2.2571    6.3950   -4.3781 C   0  0  0  0  0
    5.8751    7.3371   -4.2367 N   0  0  0  0  0
    6.5441    6.4811   -3.3897 C   0  0  0  0  0
    6.0578    5.5678   -2.7354 O   0  0  0  0  0
    7.8799    6.8187   -3.3081 N   0  0  0  0  0
    8.7584    6.0894   -2.4089 C   0  0  0  0  0
    9.9230    6.9771   -1.9810 C   0  0  0  0  0
   10.9206    6.2592   -1.0411 C   0  0  0  0  0
   12.2311    7.0252   -0.8511 C   0  0  0  0  0
   13.3978    6.3097   -0.5292 C   0  0  0  0  0
   14.6257    6.9609   -0.3938 C   0  0  0  0  0
   14.7077    8.3390   -0.5717 C   0  0  0  0  0
   13.5595    9.0681   -0.8673 C   0  0  0  0  0
   12.3295    8.4185   -0.9976 C   0  0  0  0  0
   10.2854    5.8569    0.2859 C   0  0  0  0  0
   10.2533    4.5035    0.6629 C   0  0  0  0  0
    9.6410    4.1072    1.8537 C   0  0  0  0  0
    9.0543    5.0569    2.6858 C   0  0  0  0  0
    9.0887    6.4040    2.3330 C   0  0  0  0  0
    9.7045    6.8033    1.1442 C   0  0  0  0  0
   -0.1956    7.2116   -3.2535 H   0  0  0  0  0
   -0.5574    6.0182   -4.5588 H   0  0  0  0  0
   -1.4879    7.5154   -4.4210 H   0  0  0  0  0
    2.1734    9.4504   -5.8451 H   0  0  0  0  0
    4.5948    9.2889   -5.4498 H   0  0  0  0  0
    4.0076    5.3840   -3.6956 H   0  0  0  0  0
    1.6314    5.5571   -4.0888 H   0  0  0  0  0
    6.3878    8.1636   -4.5029 H   0  0  0  0  0
    8.2883    7.1605   -4.1656 H   0  0  0  0  0
    9.1136    5.2025   -2.9448 H   0  0  0  0  0
    8.1843    5.7528   -1.5394 H   0  0  0  0  0
    9.5186    7.8837   -1.5125 H   0  0  0  0  0
   10.4505    7.3113   -2.8850 H   0  0  0  0  0
   11.1989    5.3372   -1.5741 H   0  0  0  0  0
   13.3564    5.2319   -0.3852 H   0  0  0  0  0
   15.5181    6.3902   -0.1513 H   0  0  0  0  0
   15.6642    8.8452   -0.4746 H   0  0  0  0  0
   13.6197   10.1454   -0.9992 H   0  0  0  0  0
   11.4556    9.0235   -1.2225 H   0  0  0  0  0
   10.6974    3.7420    0.0258 H   0  0  0  0  0
    9.6159    3.0559    2.1281 H   0  0  0  0  0
    8.5697    4.7474    3.6080 H   0  0  0  0  0
    8.6310    7.1456    2.9826 H   0  0  0  0  0
    9.7196    7.8609    0.8928 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  5  6  2  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 33  1  0  0  0
  8 34  1  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 12 36  1  0  0  0
 13 14  1  0  0  0
 13 37  1  0  0  0
 13 38  1  0  0  0
 14 15  1  0  0  0
 14 39  1  0  0  0
 14 40  1  0  0  0
 15 22  1  0  0  0
 15 16  1  0  0  0
 15 41  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 42  1  0  0  0
 18 19  2  0  0  0
 18 43  1  0  0  0
 19 20  1  0  0  0
 19 44  1  0  0  0
 20 21  2  0  0  0
 20 45  1  0  0  0
 21 46  1  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 47  1  0  0  0
 24 25  2  0  0  0
 24 48  1  0  0  0
 25 26  1  0  0  0
 25 49  1  0  0  0
 26 27  2  0  0  0
 26 50  1  0  0  0
 27 51  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2346767

>  <PubChem CID>
23959728

>  <Formula>
C23H24N2O2

>  <Molecular Weight>
360.457000

>  <IUPAC Name>
1-(3,3-diphenylpropyl)-3-(4-methoxyphenyl)urea

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
COC1=CC=C(C=C1)NC(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3

>  <Isomeric SMILES>
COC1=CC=C(C=C1)NC(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C23H24N2O2/c1-27-21-14-12-20(13-15-21)25-23(26)24-17-16-22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,22H,16-17H2,1H3,(H2,24,25,26)

>  <InChI Key>
ADYHVBFHCFEJKE-UHFFFAOYSA-N

