
 SCHEMBL1990907

 47 49  0  0  0  0  0  0  0  0999 V2000
    5.6828    1.9473    5.0561 C   0  0  0  0  0
    6.8564    1.6129    4.1839 C   0  0  0  0  0
    7.9433    0.8892    4.6855 C   0  0  0  0  0
    9.0293    0.5820    3.8621 C   0  0  0  0  0
    9.0506    1.0001    2.5252 C   0  0  0  0  0
    7.9545    1.7115    2.0205 C   0  0  0  0  0
    6.8683    2.0167    2.8438 C   0  0  0  0  0
   10.2085    0.6430    1.6332 C   0  0  0  0  0
    9.9994   -0.6517    1.0270 N   0  0  0  0  0
   11.0030   -1.2152    0.2676 C   0  0  0  0  0
   12.0912   -0.6760    0.1200 O   0  0  0  0  0
   10.6062   -2.4363   -0.2295 N   0  0  0  0  0
   11.3472   -3.3133   -1.0457 C   0  0  0  0  0
   12.5597   -2.9826   -1.6463 C   0  0  0  0  0
   13.2455   -3.9256   -2.4217 C   0  0  0  0  0
   12.7382   -5.2213   -2.6139 C   0  0  0  0  0
   11.5051   -5.5340   -2.0311 C   0  0  0  0  0
   10.8174   -4.5900   -1.2591 C   0  0  0  0  0
   13.5523   -6.2096   -3.4363 C   0  0  0  0  0
   13.1203   -7.7039   -3.4291 C   0  0  0  0  0
   11.9329   -8.0000   -4.2567 N   0  0  0  0  0
   12.1441   -7.4459   -5.6035 C   0  0  0  0  0
   12.5206   -5.9586   -5.5661 C   0  0  0  0  0
   13.7056   -5.7353   -4.7904 O   0  0  0  0  0
    5.8454    1.6248    6.0898 H   0  0  0  0  0
    4.7826    1.4481    4.6835 H   0  0  0  0  0
    5.5165    3.0294    5.0670 H   0  0  0  0  0
    7.9544    0.5583    5.7216 H   0  0  0  0  0
    9.8625    0.0129    4.2701 H   0  0  0  0  0
    7.9411    2.0362    0.9823 H   0  0  0  0  0
    6.0292    2.5745    2.4336 H   0  0  0  0  0
   11.1464    0.6293    2.2015 H   0  0  0  0  0
   10.3293    1.3862    0.8360 H   0  0  0  0  0
    9.0549   -0.8633    0.7460 H   0  0  0  0  0
    9.7563   -2.8037    0.1687 H   0  0  0  0  0
   13.0016   -1.9972   -1.5342 H   0  0  0  0  0
   14.1908   -3.6404   -2.8815 H   0  0  0  0  0
   11.0528   -6.5131   -2.1683 H   0  0  0  0  0
    9.8658   -4.8777   -0.8204 H   0  0  0  0  0
   14.5615   -6.1926   -3.0025 H   0  0  0  0  0
   12.9414   -8.0476   -2.4042 H   0  0  0  0  0
   13.9527   -8.3019   -3.8233 H   0  0  0  0  0
   11.8139   -9.0102   -4.3237 H   0  0  0  0  0
   12.9431   -8.0120   -6.0979 H   0  0  0  0  0
   11.2305   -7.5786   -6.1920 H   0  0  0  0  0
   12.7289   -5.6101   -6.5830 H   0  0  0  0  0
   11.6984   -5.3478   -5.1762 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  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  4  5  2  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 30  1  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 12 35  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 36  1  0  0  0
 15 16  2  0  0  0
 15 37  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 38  1  0  0  0
 18 39  1  0  0  0
 19 24  1  0  0  0
 19 20  1  0  0  0
 19 40  1  0  0  0
 20 21  1  0  0  0
 20 41  1  0  0  0
 20 42  1  0  0  0
 21 22  1  0  0  0
 21 43  1  0  0  0
 22 23  1  0  0  0
 22 44  1  0  0  0
 22 45  1  0  0  0
 23 24  1  0  0  0
 23 46  1  0  0  0
 23 47  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL1990907

>  <PubChem CID>
53250594

>  <Formula>
C19H23N3O2

>  <Molecular Weight>
325.412000

>  <IUPAC Name>
1-[(4-methylphenyl)methyl]-3-(4-morpholin-2-ylphenyl)urea

>  <XlogP>
1.8

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC=C(C=C1)CNC(=O)NC2=CC=C(C=C2)C3CNCCO3

>  <Isomeric SMILES>
CC1=CC=C(C=C1)CNC(=O)NC2=CC=C(C=C2)C3CNCCO3

>  <InChI Std. ID>
InChI=1S/C19H23N3O2/c1-14-2-4-15(5-3-14)12-21-19(23)22-17-8-6-16(7-9-17)18-13-20-10-11-24-18/h2-9,18,20H,10-13H2,1H3,(H2,21,22,23)

>  <InChI Key>
ADARGZMLSAJTAS-UHFFFAOYSA-N

